tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine

C73H109ClN10O20 — CID 158554935

IUPACtert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine
SMILESCC(C)(C)OC(=O)NCCN1CCOCC1.CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)O)c1.CNCCN1CCOCC1.COC(=O)c1cccc(C(=O)Cl)c1.COC(=O)c1cccc(C(=O)N(C)CCN2CCOCC2)c1.COC(=O)c1cccc(C(=O)O)c1.NCCN1CCOCC1
InChIInChI=1S/C16H22N2O4.C15H20N2O4.C11H22N2O3.C9H7ClO3.C9H8O4.C7H16N2O.C6H14N2O/c1-17(6-7-18-8-10-22-11-9-18)15(19)13-4-3-5-14(12-13)16(20)21-2;1-16(5-6-17-7-9-21-10-8-17)14(18)12-3-2-4-13(11-12)15(19)20;1-11(2,3)16-10(14)12-4-5-13-6-8-15-9-7-13;2*1-13-9(12)7-4-2-3-6(5-7)8(10)11;1-8-2-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8/h3-5,12H,6-11H2,1-2H3;2-4,11H,5-10H2,1H3,(H,19,20);4-9H2,1-3H3,(H,12,14);2-5H,1H3;2-5H,1H3,(H,10,11);8H,2-7H2,1H3;1-7H2
InChIKeyHQEANYDEDRLUAS-UHFFFAOYSA-N
MW1482.18 g/mol
LogP4.35
Rot. Bonds22

About tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine

tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine (PubChem CID 158554935) has the molecular formula C73H109ClN10O20 and a molecular weight of 1482.18 g/mol. Its IUPAC name is tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine.

Molecular Properties

Compound Nametert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine
PubChem CID158554935
Molecular FormulaC73H109ClN10O20
Molecular Weight1482.18 g/mol
Exact Mass1480.75
IUPAC Nametert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine
SMILESCC(C)(C)OC(=O)NCCN1CCOCC1.CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)O)c1.CNCCN1CCOCC1.COC(=O)c1cccc(C(=O)Cl)c1.COC(=O)c1cccc(C(=O)N(C)CCN2CCOCC2)c1.COC(=O)c1cccc(C(=O)O)c1.NCCN1CCOCC1
InChIInChI=1S/C16H22N2O4.C15H20N2O4.C11H22N2O3.C9H7ClO3.C9H8O4.C7H16N2O.C6H14N2O/c1-17(6-7-18-8-10-22-11-9-18)15(19)13-4-3-5-14(12-13)16(20)21-2;1-16(5-6-17-7-9-21-10-8-17)14(18)12-3-2-4-13(11-12)15(19)20;1-11(2,3)16-10(14)12-4-5-13-6-8-15-9-7-13;2*1-13-9(12)7-4-2-3-6(5-7)8(10)11;1-8-2-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8/h3-5,12H,6-11H2,1-2H3;2-4,11H,5-10H2,1H3,(H,19,20);4-9H2,1-3H3,(H,12,14);2-5H,1H3;2-5H,1H3,(H,10,11);8H,2-7H2,1H3;1-7H2
InChIKeyHQEANYDEDRLUAS-UHFFFAOYSA-N
XLogP4.35
TPSA349.92 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001482.18
LogP ≤ 54.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine with MolForge

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Related Compounds

3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 163865741
3-bromo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110753209
methyl 3-[methyl-[2-(4-methylpiperidin-1-yl)ethyl]carbamoyl]benzoate;2,2,2-trifluoroacetic acid
CID 154890600
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365
tert-butyl N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]carbamate;2-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 159897422
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 82582515
tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate
CID 138647733
methyl 2,3-difluorobenzoate;methyl 3-fluoro-2-(2-morpholin-4-ylethylamino)benzoate;2-morpholin-4-ylethanamine
CID 162249282
tert-butyl N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 72811822

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine?
The IUPAC name of tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine (CID 158554935) is tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine.
What is the SMILES notation for tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine?
The canonical SMILES for tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine is CC(C)(C)OC(=O)NCCN1CCOCC1.CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)O)c1.CNCCN1CCOCC1.COC(=O)c1cccc(C(=O)Cl)c1.COC(=O)c1cccc(C(=O)N(C)CCN2CCOCC2)c1.COC(=O)c1cccc(C(=O)O)c1.NCCN1CCOCC1.
What is the InChIKey of tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine?
The InChIKey is HQEANYDEDRLUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4.C15H20N2O4.C11H22N2O3.C9H7ClO3.C9H8O4.C7H16N2O.C6H14N2O/c1-17(6-7-18-8-10-22-11-9-18)15(19)13-4-3-5-14(12-13)16(20)21-2;1-16(5-6-17-7-9-21-10-8-17)14(18)12-3-2-4-13(11-12)15(19)20;1-11(2,3)16-10(14)12-4-5-13-6-8-15-9-7-13;2*1-13-9(12)7-4-2-3-6(5-7)8(10)11;1-8-2-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8/h3-5,12H,6-11H2,1-2H3;2-4,11H,5-10H2,1H3,(H,19,20);4-9H2,1-3H3,(H,12,14);2-5H,1H3;2-5H,1H3,(H,10,11);8H,2-7H2,1H3;1-7H2.
What are the key properties of tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine?
tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine has a molecular weight of 1482.18 g/mol, XLogP of 4.35, 22 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-morpholin-4-ylethyl)carbamate;3-methoxycarbonylbenzoic acid;methyl 3-carbonochloridoylbenzoate;methyl 3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoate;N-methyl-2-morpholin-4-ylethanamine;3-[methyl(2-morpholin-4-ylethyl)carbamoyl]benzoic acid;2-morpholin-4-ylethanamine is sourced from PubChem (CID 158554935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).