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

C25H30N2O — CID 4545612

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(Cc1cccn1Cc1ccccc1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C25H30N2O/c1-3-17-27(25(28)24(4-2)22-14-9-6-10-15-22)20-23-16-11-18-26(23)19-21-12-7-5-8-13-21/h5-16,18,24H,3-4,17,19-20H2,1-2H3
InChIKeyANEHFDHHXSVZKC-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.47
Rot. Bonds9

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

N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide (PubChem CID 4545612) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide
PubChem CID4545612
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(Cc1cccn1Cc1ccccc1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C25H30N2O/c1-3-17-27(25(28)24(4-2)22-14-9-6-10-15-22)20-23-16-11-18-26(23)19-21-12-7-5-8-13-21/h5-16,18,24H,3-4,17,19-20H2,1-2H3
InChIKeyANEHFDHHXSVZKC-UHFFFAOYSA-N
XLogP5.47
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-phenyl-N-propylbutanamide
CID 7351370
(2R)-N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-phenylbutanamide
CID 7260978
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide
CID 3534668
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide
CID 42764431
N-[2-[butan-2-yl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 42664513
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylhexanamide
CID 4542851
N-[2-[butyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylbutanamide
CID 3684335
N-ethyl-N-[2-oxo-2-[pentyl-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]amino]ethyl]-2-phenylbutanamide
CID 3309617
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-methylbutanamide
CID 42763071
2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide
CID 4559208
(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide
CID 7237278
N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide
CID 42762712

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide (CID 4545612) is N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide is CCCN(Cc1cccn1Cc1ccccc1)C(=O)C(CC)c1ccccc1.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide?
The InChIKey is ANEHFDHHXSVZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-3-17-27(25(28)24(4-2)22-14-9-6-10-15-22)20-23-16-11-18-26(23)19-21-12-7-5-8-13-21/h5-16,18,24H,3-4,17,19-20H2,1-2H3.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide?
N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide has a molecular weight of 374.53 g/mol, XLogP of 5.47, 9 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]-2-phenyl-N-propylbutanamide is sourced from PubChem (CID 4545612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).