N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide

C19H26N2O — CID 42764431

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide
SMILESCCCC(=O)N(CCC)Cc1cccn1Cc1ccccc1
InChIInChI=1S/C19H26N2O/c1-3-9-19(22)21(13-4-2)16-18-12-8-14-20(18)15-17-10-6-5-7-11-17/h5-8,10-12,14H,3-4,9,13,15-16H2,1-2H3
InChIKeyQEPOSFMHQJPKQY-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.08
Rot. Bonds8

About N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide

N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide (PubChem CID 42764431) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide
PubChem CID42764431
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide
SMILESCCCC(=O)N(CCC)Cc1cccn1Cc1ccccc1
InChIInChI=1S/C19H26N2O/c1-3-9-19(22)21(13-4-2)16-18-12-8-14-20(18)15-17-10-6-5-7-11-17/h5-8,10-12,14H,3-4,9,13,15-16H2,1-2H3
InChIKeyQEPOSFMHQJPKQY-UHFFFAOYSA-N
XLogP4.08
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-benzylpyrrol-2-yl)methyl]-N-propylhexanamide
CID 4542851
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide
CID 3680724
N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide
CID 3553412
N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide
CID 3288101
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-phenyl-N-propylbutanamide
CID 4545612
N-[(1-benzylpyrrol-2-yl)methyl]-2-methoxy-N-pentylacetamide
CID 4574832
2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide
CID 4559208
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylhexanamide
CID 4243560
N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butylamino]-2-oxoethyl]-N-propylpentanamide
CID 4043236
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-3-phenylpropanamide
CID 5027042

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide (CID 42764431) is N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide is CCCC(=O)N(CCC)Cc1cccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide?
The InChIKey is QEPOSFMHQJPKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-9-19(22)21(13-4-2)16-18-12-8-14-20(18)15-17-10-6-5-7-11-17/h5-8,10-12,14H,3-4,9,13,15-16H2,1-2H3.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide?
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide has a molecular weight of 298.43 g/mol, XLogP of 4.08, 8 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-propylbutanamide is sourced from PubChem (CID 42764431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).