2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide

C26H31N3O2 — CID 3993556

IUPAC2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccccc1)C(C)C
InChIInChI=1S/C26H31N3O2/c1-21(2)29(22(3)30)20-26(31)28(18-24-13-8-5-9-14-24)19-25-15-10-16-27(25)17-23-11-6-4-7-12-23/h4-16,21H,17-20H2,1-3H3
InChIKeyWCRKXROATPLSKH-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.32
Rot. Bonds9

About 2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide

2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide (PubChem CID 3993556) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide
PubChem CID3993556
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccccc1)C(C)C
InChIInChI=1S/C26H31N3O2/c1-21(2)29(22(3)30)20-26(31)28(18-24-13-8-5-9-14-24)19-25-15-10-16-27(25)17-23-11-6-4-7-12-23/h4-16,21H,17-20H2,1-3H3
InChIKeyWCRKXROATPLSKH-UHFFFAOYSA-N
XLogP4.32
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide 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-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 4032346
2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide
CID 4559208
2-[acetyl-[(2S)-butan-2-yl]amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 7226730
N-[2-[benzyl-[(1-benzylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-propan-2-ylbenzamide
CID 4618211
N-[(1-benzylpyrrol-2-yl)methyl]-2-methoxy-N-propan-2-ylacetamide
CID 810212
N-[(1-benzylpyrrol-2-yl)methyl]-4-fluoro-N-propan-2-ylbenzamide
CID 3915866
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
CID 42776826
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42776763
N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-propan-2-ylbenzamide
CID 5004292
N-[2-[benzyl-[(1-benzylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-tert-butyl-N-(2-methylpropyl)benzamide
CID 4253983
N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide
CID 3553412
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 42776764

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide (CID 3993556) is 2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide is CC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccccc1)C(C)C.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide?
The InChIKey is WCRKXROATPLSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-21(2)29(22(3)30)20-26(31)28(18-24-13-8-5-9-14-24)19-25-15-10-16-27(25)17-23-11-6-4-7-12-23/h4-16,21H,17-20H2,1-3H3.
What are the key properties of 2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide?
2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide has a molecular weight of 417.55 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3993556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).