N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide

C25H28N2O — CID 3534668

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide
SMILESCCC(C(=O)N(Cc1cccn1Cc1ccccc1)C1CC1)c1ccccc1
InChIInChI=1S/C25H28N2O/c1-2-24(21-12-7-4-8-13-21)25(28)27(22-15-16-22)19-23-14-9-17-26(23)18-20-10-5-3-6-11-20/h3-14,17,22,24H,2,15-16,18-19H2,1H3
InChIKeyAVSUBOLMXVXYOF-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.22
Rot. Bonds8

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

N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide (PubChem CID 3534668) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide
PubChem CID3534668
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide
SMILESCCC(C(=O)N(Cc1cccn1Cc1ccccc1)C1CC1)c1ccccc1
InChIInChI=1S/C25H28N2O/c1-2-24(21-12-7-4-8-13-21)25(28)27(22-15-16-22)19-23-14-9-17-26(23)18-20-10-5-3-6-11-20/h3-14,17,22,24H,2,15-16,18-19H2,1H3
InChIKeyAVSUBOLMXVXYOF-UHFFFAOYSA-N
XLogP5.22
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-phenylbutanamide
CID 3975423
(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide
CID 810234
N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide
CID 4545612
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide
CID 810218
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide
CID 4024183
N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4579670
(2S)-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-phenyl-N-propylbutanamide
CID 7351370
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylpropanamide
CID 3980589
(2R)-N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-phenylbutanamide
CID 7260978
2-chloro-N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 5112209
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-cyclohexyl-3,3-dimethylbutanamide
CID 3993753
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenylacetamide
CID 809989

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide (CID 3534668) is N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide is CCC(C(=O)N(Cc1cccn1Cc1ccccc1)C1CC1)c1ccccc1.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide?
The InChIKey is AVSUBOLMXVXYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-2-24(21-12-7-4-8-13-21)25(28)27(22-15-16-22)19-23-14-9-17-26(23)18-20-10-5-3-6-11-20/h3-14,17,22,24H,2,15-16,18-19H2,1H3.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide?
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide has a molecular weight of 372.51 g/mol, XLogP of 5.22, 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-cyclopropyl-2-phenylbutanamide is sourced from PubChem (CID 3534668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).