2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium

C119H163N9O24S2V — CID 158264768

IUPAC2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1.CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)O.CCS(=O)(=O)c1ccc(C)cc1.CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)(C)C(=O)N(C)c3ccccc3)cc2)cc1.CN(C(=O)C(C)(C)Oc1ccc(N)cc1)c1ccccc1.CN(C(=O)C(C)(C)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1.Nc1ccccc1.O=C=O.[V]
InChIInChI=1S/C27H30N2O5S.C17H18N2O4.C17H20N2O2.C17H17NO4.C10H11NO5.C9H12O2S.C6H7N.6C2H6.CO2.3CH4.V/c1-5-35(32,33)24-17-11-20(12-18-24)19-25(30)28-21-13-15-23(16-14-21)34-27(2,3)26(31)29(4)22-9-7-6-8-10-22;1-17(2,16(20)18(3)13-7-5-4-6-8-13)23-15-11-9-14(10-12-15)19(21)22;1-17(2,21-15-11-9-13(18)10-12-15)16(20)19(3)14-7-5-4-6-8-14;1-17(2,16(19)12-13-6-4-3-5-7-13)22-15-10-8-14(9-11-15)18(20)21;1-10(2,9(12)13)16-8-5-3-7(4-6-8)11(14)15;1-3-12(10,11)9-6-4-8(2)5-7-9;7-6-4-2-1-3-5-6;6*1-2;2-1-3;;;;/h6-18H,5,19H2,1-4H3,(H,28,30);4-12H,1-3H3;4-12H,18H2,1-3H3;3-11H,12H2,1-2H3;3-6H,1-2H3,(H,12,13);4-7H,3H2,1-2H3;1-5H,7H2;6*1-2H3;;3*1H4;
InChIKeyGIHMLUZRLALINI-UHFFFAOYSA-N
MW2218.73 g/mol
LogP26.92
Rot. Bonds30

About 2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium

2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium (PubChem CID 158264768) has the molecular formula C119H163N9O24S2V and a molecular weight of 2218.73 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium
PubChem CID158264768
Molecular FormulaC119H163N9O24S2V
Molecular Weight2218.73 g/mol
Exact Mass2217.07
IUPAC Name2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1.CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)O.CCS(=O)(=O)c1ccc(C)cc1.CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)(C)C(=O)N(C)c3ccccc3)cc2)cc1.CN(C(=O)C(C)(C)Oc1ccc(N)cc1)c1ccccc1.CN(C(=O)C(C)(C)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1.Nc1ccccc1.O=C=O.[V]
InChIInChI=1S/C27H30N2O5S.C17H18N2O4.C17H20N2O2.C17H17NO4.C10H11NO5.C9H12O2S.C6H7N.6C2H6.CO2.3CH4.V/c1-5-35(32,33)24-17-11-20(12-18-24)19-25(30)28-21-13-15-23(16-14-21)34-27(2,3)26(31)29(4)22-9-7-6-8-10-22;1-17(2,16(20)18(3)13-7-5-4-6-8-13)23-15-11-9-14(10-12-15)19(21)22;1-17(2,21-15-11-9-13(18)10-12-15)16(20)19(3)14-7-5-4-6-8-14;1-17(2,16(19)12-13-6-4-3-5-7-13)22-15-10-8-14(9-11-15)18(20)21;1-10(2,9(12)13)16-8-5-3-7(4-6-8)11(14)15;1-3-12(10,11)9-6-4-8(2)5-7-9;7-6-4-2-1-3-5-6;6*1-2;2-1-3;;;;/h6-18H,5,19H2,1-4H3,(H,28,30);4-12H,1-3H3;4-12H,18H2,1-3H3;3-11H,12H2,1-2H3;3-6H,1-2H3,(H,12,13);4-7H,3H2,1-2H3;1-5H,7H2;6*1-2H3;;3*1H4;
InChIKeyGIHMLUZRLALINI-UHFFFAOYSA-N
XLogP26.92
TPSA474.43 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002218.73
LogP ≤ 526.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium with MolForge

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Related Compounds

3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one
CID 158264769
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
CID 6331796
CID 6331796
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182
N-(4-chlorophenyl)-2-[4-[[2-(4-ethylsulfinylphenyl)acetyl]amino]phenoxy]-N,2-dimethylpropanamide
CID 118461748
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456138

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium?
The IUPAC name of 2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium (CID 158264768) is 2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium.
What is the SMILES notation for 2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium?
The canonical SMILES for 2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium is C.C.C.CC.CC.CC.CC.CC.CC.CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1.CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)O.CCS(=O)(=O)c1ccc(C)cc1.CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)(C)C(=O)N(C)c3ccccc3)cc2)cc1.CN(C(=O)C(C)(C)Oc1ccc(N)cc1)c1ccccc1.CN(C(=O)C(C)(C)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1.Nc1ccccc1.O=C=O.[V].
What is the InChIKey of 2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium?
The InChIKey is GIHMLUZRLALINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5S.C17H18N2O4.C17H20N2O2.C17H17NO4.C10H11NO5.C9H12O2S.C6H7N.6C2H6.CO2.3CH4.V/c1-5-35(32,33)24-17-11-20(12-18-24)19-25(30)28-21-13-15-23(16-14-21)34-27(2,3)26(31)29(4)22-9-7-6-8-10-22;1-17(2,16(20)18(3)13-7-5-4-6-8-13)23-15-11-9-14(10-12-15)19(21)22;1-17(2,21-15-11-9-13(18)10-12-15)16(20)19(3)14-7-5-4-6-8-14;1-17(2,16(19)12-13-6-4-3-5-7-13)22-15-10-8-14(9-11-15)18(20)21;1-10(2,9(12)13)16-8-5-3-7(4-6-8)11(14)15;1-3-12(10,11)9-6-4-8(2)5-7-9;7-6-4-2-1-3-5-6;6*1-2;2-1-3;;;;/h6-18H,5,19H2,1-4H3,(H,28,30);4-12H,1-3H3;4-12H,18H2,1-3H3;3-11H,12H2,1-2H3;3-6H,1-2H3,(H,12,13);4-7H,3H2,1-2H3;1-5H,7H2;6*1-2H3;;3*1H4;.
What are the key properties of 2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium?
2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium has a molecular weight of 2218.73 g/mol, XLogP of 26.92, 30 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N,2-dimethyl-N-phenylpropanamide;aniline;carbon dioxide;N,2-dimethyl-2-(4-nitrophenoxy)-N-phenylpropanamide;ethane;1-ethylsulfonyl-4-methylbenzene;2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenoxy]-N,2-dimethyl-N-phenylpropanamide;methane;3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one;2-methyl-2-(4-nitrophenoxy)propanoic acid;vanadium is sourced from PubChem (CID 158264768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).