N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide

C23H31N3O2 — CID 42767871

IUPACN-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide
SMILESCCC(C)N(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)C1CC1
InChIInChI=1S/C23H31N3O2/c1-4-18(2)26(23(28)20-12-13-20)17-22(27)25(15-19-9-6-5-7-10-19)16-21-11-8-14-24(21)3/h5-11,14,18,20H,4,12-13,15-17H2,1-3H3
InChIKeyGCDLBAANSLTHER-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.59
Rot. Bonds9

About N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide

N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide (PubChem CID 42767871) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide
PubChem CID42767871
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide
SMILESCCC(C)N(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)C1CC1
InChIInChI=1S/C23H31N3O2/c1-4-18(2)26(23(28)20-12-13-20)17-22(27)25(15-19-9-6-5-7-10-19)16-21-11-8-14-24(21)3/h5-11,14,18,20H,4,12-13,15-17H2,1-3H3
InChIKeyGCDLBAANSLTHER-UHFFFAOYSA-N
XLogP3.59
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]propanamide
CID 7296721
N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 3672154
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]-4-methylbenzamide
CID 7397232
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]hexanamide
CID 7216163
N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 5041321
N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 3957077
N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 7351356
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-yl-3-phenylprop-2-enamide
CID 3947047
N-[(2S)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 7217205
N-benzyl-2-(butan-2-ylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767327
N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 7225275
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclobutanecarboxamide
CID 3991241

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide?
The IUPAC name of N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide (CID 42767871) is N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide?
The canonical SMILES for N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide is CCC(C)N(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)C1CC1.
What is the InChIKey of N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide?
The InChIKey is GCDLBAANSLTHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-18(2)26(23(28)20-12-13-20)17-22(27)25(15-19-9-6-5-7-10-19)16-21-11-8-14-24(21)3/h5-11,14,18,20H,4,12-13,15-17H2,1-3H3.
What are the key properties of N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide?
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide is sourced from PubChem (CID 42767871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).