2-methyl-N-phenylpentanamide

C12H17NO — CID 4627801

IUPAC2-methyl-N-phenylpentanamide
SMILESCCCC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO/c1-3-7-10(2)12(14)13-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,13,14)
InChIKeyRDAIABMZGRAFCF-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.06
Rot. Bonds4

About 2-methyl-N-phenylpentanamide

2-methyl-N-phenylpentanamide (PubChem CID 4627801) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methyl-N-phenylpentanamide.

Molecular Properties

Compound Name2-methyl-N-phenylpentanamide
PubChem CID4627801
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methyl-N-phenylpentanamide
SMILESCCCC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO/c1-3-7-10(2)12(14)13-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,13,14)
InChIKeyRDAIABMZGRAFCF-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
5-anilino-4-methyl-5-oxopentanoic acid
CID 58720000
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
2-bromo-N-phenylpentanamide
CID 56980184
N-[4-(bromomethyl)phenyl]-2-methylpentanamide
CID 114310848
2-(pentan-2-ylamino)-N-phenylpropanamide
CID 43083650
[amino-[4-(2-methylpentanoylamino)phenyl]methylidene]azanium
CID 21349582
N-methyl-4-(2-methylpentanoylamino)benzamide
CID 75981619
4-anilino-3-methyl-4-oxobutanoic acid;ethane
CID 90916369
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylpentanamide?
The IUPAC name of 2-methyl-N-phenylpentanamide (CID 4627801) is 2-methyl-N-phenylpentanamide.
What is the SMILES notation for 2-methyl-N-phenylpentanamide?
The canonical SMILES for 2-methyl-N-phenylpentanamide is CCCC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylpentanamide?
The InChIKey is RDAIABMZGRAFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-7-10(2)12(14)13-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-N-phenylpentanamide?
2-methyl-N-phenylpentanamide has a molecular weight of 191.27 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylpentanamide is sourced from PubChem (CID 4627801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).