N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide

C25H30N2O — CID 3680724

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide
SMILESCCCCN(Cc1cccn1Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C25H30N2O/c1-2-3-18-27(25(28)17-16-22-11-6-4-7-12-22)21-24-15-10-19-26(24)20-23-13-8-5-9-14-23/h4-15,19H,2-3,16-18,20-21H2,1H3
InChIKeyDIIVWWIXYTYRIK-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.30
Rot. Bonds10

About N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide

N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide (PubChem CID 3680724) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide
PubChem CID3680724
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide
SMILESCCCCN(Cc1cccn1Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C25H30N2O/c1-2-3-18-27(25(28)17-16-22-11-6-4-7-12-22)21-24-15-10-19-26(24)20-23-13-8-5-9-14-23/h4-15,19H,2-3,16-18,20-21H2,1H3
InChIKeyDIIVWWIXYTYRIK-UHFFFAOYSA-N
XLogP5.30
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-3-phenylpropanamide
CID 5027042
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylhexanamide
CID 4542851
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-3-phenylpropanamide
CID 5145929
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide
CID 42764431
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-methylbutanamide
CID 42763071
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3,3-dimethylbutanamide
CID 42763070
N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide
CID 3288101
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-2,2-dimethylpropanamide
CID 3651106
N-[(1-benzylpyrrol-2-yl)methyl]-2-methoxy-N-pentylacetamide
CID 4574832
N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butylamino]-2-oxoethyl]-N-propylpentanamide
CID 4043236
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
CID 42776826
N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butylamino]-2-oxoethyl]-N-propylhexanamide
CID 4530699

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide (CID 3680724) is N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide is CCCCN(Cc1cccn1Cc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide?
The InChIKey is DIIVWWIXYTYRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-2-3-18-27(25(28)17-16-22-11-6-4-7-12-22)21-24-15-10-19-26(24)20-23-13-8-5-9-14-23/h4-15,19H,2-3,16-18,20-21H2,1H3.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide?
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide has a molecular weight of 374.53 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide is sourced from PubChem (CID 3680724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).