acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine

C112H133N15O18 — CID 158260471

IUPACacetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine
SMILESC.CC.CC(=O)O.CC(C(=O)Nc1c(N)cc(OCc2ccccc2)c2ccccc12)N1CCOCC1.CC(C(=O)O)N1CCOCC1.CC(c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2)N1CCOCC1.CC(c1nc2c(cc(O)c3ccccc32)[nH]1)N1CCOCC1.CC(c1nc2c(cc(OCc3ccccc3)c3ccccc32)[nH]1)N1CCOCC1.Nc1c([N+](=O)[O-])cc(OCc2ccccc2)c2ccccc12.[2H]C
InChIInChI=1S/C24H27N3O3.C24H25N3O2.C17H17N3O3.C17H19N3O2.C17H14N2O3.C7H13NO3.C2H4O2.C2H6.2CH4/c1-17(27-11-13-29-14-12-27)24(28)26-23-20-10-6-5-9-19(20)22(15-21(23)25)30-16-18-7-3-2-4-8-18;1-17(27-11-13-28-14-12-27)24-25-21-15-22(29-16-18-7-3-2-4-8-18)19-9-5-6-10-20(19)23(21)26-24;1-10(20-6-8-23-9-7-20)17-18-13-11-4-2-3-5-12(11)15(21)16(22)14(13)19-17;1-11(20-6-8-22-9-7-20)17-18-14-10-15(21)12-4-2-3-5-13(12)16(14)19-17;18-17-14-9-5-4-8-13(14)16(10-15(17)19(20)21)22-11-12-6-2-1-3-7-12;1-6(7(9)10)8-2-4-11-5-3-8;1-2(3)4;1-2;;/h2-10,15,17H,11-14,16,25H2,1H3,(H,26,28);2-10,15,17H,11-14,16H2,1H3,(H,25,26);2-5,10H,6-9H2,1H3,(H,18,19);2-5,10-11,21H,6-9H2,1H3,(H,18,19);1-10H,11,18H2;6H,2-5H2,1H3,(H,9,10);1H3,(H,3,4);1-2H3;2*1H4/i;;;;;;;;1D;
InChIKeyCYIOPMXIVKKZIH-DBKPQDGCSA-N
MW1978.39 g/mol
LogP19.10
Rot. Bonds21

About acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine

acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine (PubChem CID 158260471) has the molecular formula C112H133N15O18 and a molecular weight of 1978.39 g/mol. Its IUPAC name is acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine.

Molecular Properties

Compound Nameacetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine
PubChem CID158260471
Molecular FormulaC112H133N15O18
Molecular Weight1978.39 g/mol
Exact Mass1977.00
IUPAC Nameacetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine
SMILESC.CC.CC(=O)O.CC(C(=O)Nc1c(N)cc(OCc2ccccc2)c2ccccc12)N1CCOCC1.CC(C(=O)O)N1CCOCC1.CC(c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2)N1CCOCC1.CC(c1nc2c(cc(O)c3ccccc32)[nH]1)N1CCOCC1.CC(c1nc2c(cc(OCc3ccccc3)c3ccccc32)[nH]1)N1CCOCC1.Nc1c([N+](=O)[O-])cc(OCc2ccccc2)c2ccccc12.[2H]C
InChIInChI=1S/C24H27N3O3.C24H25N3O2.C17H17N3O3.C17H19N3O2.C17H14N2O3.C7H13NO3.C2H4O2.C2H6.2CH4/c1-17(27-11-13-29-14-12-27)24(28)26-23-20-10-6-5-9-19(20)22(15-21(23)25)30-16-18-7-3-2-4-8-18;1-17(27-11-13-28-14-12-27)24-25-21-15-22(29-16-18-7-3-2-4-8-18)19-9-5-6-10-20(19)23(21)26-24;1-10(20-6-8-23-9-7-20)17-18-13-11-4-2-3-5-12(11)15(21)16(22)14(13)19-17;1-11(20-6-8-22-9-7-20)17-18-14-10-15(21)12-4-2-3-5-13(12)16(14)19-17;18-17-14-9-5-4-8-13(14)16(10-15(17)19(20)21)22-11-12-6-2-1-3-7-12;1-6(7(9)10)8-2-4-11-5-3-8;1-2(3)4;1-2;;/h2-10,15,17H,11-14,16,25H2,1H3,(H,26,28);2-10,15,17H,11-14,16H2,1H3,(H,25,26);2-5,10H,6-9H2,1H3,(H,18,19);2-5,10-11,21H,6-9H2,1H3,(H,18,19);1-10H,11,18H2;6H,2-5H2,1H3,(H,9,10);1H3,(H,3,4);1-2H3;2*1H4/i;;;;;;;;1D;
InChIKeyCYIOPMXIVKKZIH-DBKPQDGCSA-N
XLogP19.10
TPSA429.33 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001978.39
LogP ≤ 519.10
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine with MolForge

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Related Compounds

2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 9275818
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 135336988
(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
CID 1429478
(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 2654021
N-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657722
N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 110483735
4-amino-N-(2-morpholin-4-yl-2-phenylethyl)-3-nitrobenzamide
CID 46578636
N-[2-(2-hydroxyphenyl)ethyl]-2-morpholin-4-ylpropanamide
CID 110483744
N-benzyl-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213694
N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide
CID 3263380
1-(2-methyl-1H-indol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)propan-1-one
CID 16958500

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine?
The IUPAC name of acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine (CID 158260471) is acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine.
What is the SMILES notation for acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine?
The canonical SMILES for acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine is C.CC.CC(=O)O.CC(C(=O)Nc1c(N)cc(OCc2ccccc2)c2ccccc12)N1CCOCC1.CC(C(=O)O)N1CCOCC1.CC(c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2)N1CCOCC1.CC(c1nc2c(cc(O)c3ccccc32)[nH]1)N1CCOCC1.CC(c1nc2c(cc(OCc3ccccc3)c3ccccc32)[nH]1)N1CCOCC1.Nc1c([N+](=O)[O-])cc(OCc2ccccc2)c2ccccc12.[2H]C.
What is the InChIKey of acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine?
The InChIKey is CYIOPMXIVKKZIH-DBKPQDGCSA-N. The full InChI is InChI=1S/C24H27N3O3.C24H25N3O2.C17H17N3O3.C17H19N3O2.C17H14N2O3.C7H13NO3.C2H4O2.C2H6.2CH4/c1-17(27-11-13-29-14-12-27)24(28)26-23-20-10-6-5-9-19(20)22(15-21(23)25)30-16-18-7-3-2-4-8-18;1-17(27-11-13-28-14-12-27)24-25-21-15-22(29-16-18-7-3-2-4-8-18)19-9-5-6-10-20(19)23(21)26-24;1-10(20-6-8-23-9-7-20)17-18-13-11-4-2-3-5-12(11)15(21)16(22)14(13)19-17;1-11(20-6-8-22-9-7-20)17-18-14-10-15(21)12-4-2-3-5-13(12)16(14)19-17;18-17-14-9-5-4-8-13(14)16(10-15(17)19(20)21)22-11-12-6-2-1-3-7-12;1-6(7(9)10)8-2-4-11-5-3-8;1-2(3)4;1-2;;/h2-10,15,17H,11-14,16,25H2,1H3,(H,26,28);2-10,15,17H,11-14,16H2,1H3,(H,25,26);2-5,10H,6-9H2,1H3,(H,18,19);2-5,10-11,21H,6-9H2,1H3,(H,18,19);1-10H,11,18H2;6H,2-5H2,1H3,(H,9,10);1H3,(H,3,4);1-2H3;2*1H4/i;;;;;;;;1D;.
What are the key properties of acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine?
acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine has a molecular weight of 1978.39 g/mol, XLogP of 19.10, 21 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-morpholin-4-ylpropanamide;deuteriomethane;ethane;methane;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-(1-morpholin-4-ylethyl)-3H-benzo[e]benzimidazol-5-ol;2-morpholin-4-ylpropanoic acid;2-nitro-4-phenylmethoxynaphthalen-1-amine;4-[1-(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)ethyl]morpholine is sourced from PubChem (CID 158260471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).