N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide

C32H35N3O2 — CID 42665058

IUPACN-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide
SMILESCCCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C1CC1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C32H35N3O2/c1-2-3-20-34(32(37)30-17-9-14-26-13-7-8-16-29(26)30)24-31(36)35(27-18-19-27)23-28-15-10-21-33(28)22-25-11-5-4-6-12-25/h4-17,21,27H,2-3,18-20,22-24H2,1H3
InChIKeyUFVCBKQVZQUKTH-UHFFFAOYSA-N
MW493.65 g/mol
LogP6.12
Rot. Bonds11

About N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide

N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide (PubChem CID 42665058) has the molecular formula C32H35N3O2 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide
PubChem CID42665058
Molecular FormulaC32H35N3O2
Molecular Weight493.65 g/mol
Exact Mass493.27
IUPAC NameN-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide
SMILESCCCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C1CC1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C32H35N3O2/c1-2-3-20-34(32(37)30-17-9-14-26-13-7-8-16-29(26)30)24-31(36)35(27-18-19-27)23-28-15-10-21-33(28)22-25-11-5-4-6-12-25/h4-17,21,27H,2-3,18-20,22-24H2,1H3
InChIKeyUFVCBKQVZQUKTH-UHFFFAOYSA-N
XLogP6.12
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-pentylbenzamide
CID 3961367
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-butylcyclopropanecarboxamide
CID 3929682
N-butyl-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 5023389
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-(3-methoxypropyl)heptanamide
CID 3979769
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(propyl)amino]acetamide
CID 4306791
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide
CID 4241129
2-[butyl(naphthalen-1-ylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3880638
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 42771199
N-butyl-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 4685996
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
CID 3473022
N-butyl-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 4691785
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 3362836

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide?
The IUPAC name of N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide (CID 42665058) is N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide?
The canonical SMILES for N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide is CCCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C1CC1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide?
The InChIKey is UFVCBKQVZQUKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O2/c1-2-3-20-34(32(37)30-17-9-14-26-13-7-8-16-29(26)30)24-31(36)35(27-18-19-27)23-28-15-10-21-33(28)22-25-11-5-4-6-12-25/h4-17,21,27H,2-3,18-20,22-24H2,1H3.
What are the key properties of N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide?
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide has a molecular weight of 493.65 g/mol, XLogP of 6.12, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylnaphthalene-1-carboxamide is sourced from PubChem (CID 42665058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).