3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide

C15H18N2O — CID 110726327

IUPAC3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H18N2O/c1-12(2)11-15(18)16-13-5-7-14(8-6-13)17-9-3-4-10-17/h3-10,12H,11H2,1-2H3,(H,16,18)
InChIKeyVVPWXYXZNCCVQO-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.46
Rot. Bonds4

About 3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide

3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide (PubChem CID 110726327) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
PubChem CID110726327
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H18N2O/c1-12(2)11-15(18)16-13-5-7-14(8-6-13)17-9-3-4-10-17/h3-10,12H,11H2,1-2H3,(H,16,18)
InChIKeyVVPWXYXZNCCVQO-UHFFFAOYSA-N
XLogP3.46
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-bis(2-methylpropyl)-3-(4-pyrrol-1-ylphenyl)urea
CID 108886840
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
4-oxo-4-(4-pyrrol-1-ylanilino)butanoic acid
CID 110471076
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
CID 110470122
3-(4-fluorophenyl)-5-oxo-5-(4-pyrrol-1-ylanilino)pentanoic acid
CID 91953110
methyl N-(4-pyrrol-1-ylphenyl)carbamate
CID 110726346
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
methyl (2S)-2-amino-5-oxo-5-[4-(4-pyrrol-1-ylphenoxy)anilino]pentanoate
CID 138657696
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide?
The IUPAC name of 3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide (CID 110726327) is 3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide?
The canonical SMILES for 3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide is CC(C)CC(=O)Nc1ccc(-n2cccc2)cc1.
What is the InChIKey of 3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide?
The InChIKey is VVPWXYXZNCCVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(2)11-15(18)16-13-5-7-14(8-6-13)17-9-3-4-10-17/h3-10,12H,11H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide?
3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide has a molecular weight of 242.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide is sourced from PubChem (CID 110726327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).