4-methyl-3-phenylpentanamide

C12H17NO — CID 66616845

IUPAC4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(N)=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H2,13,14)
InChIKeyWZCJNQSRCQLZLC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds4

About 4-methyl-3-phenylpentanamide

4-methyl-3-phenylpentanamide (PubChem CID 66616845) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-methyl-3-phenylpentanamide.

Molecular Properties

Compound Name4-methyl-3-phenylpentanamide
PubChem CID66616845
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(N)=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H2,13,14)
InChIKeyWZCJNQSRCQLZLC-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-phenylpentanoic acid
CID 3249521
4,4-dimethyl-3-phenylpentanamide
CID 82077159
3-(4-ethoxyphenyl)-4-methylpentanamide
CID 112508295
2-diazo-6-methyl-5-phenylheptan-3-one
CID 85167387
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate
CID 107876364
(3R)-3-(1H-indol-3-yl)-4-methylpentanamide
CID 98241929
2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
CID 119294102
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
[(2R)-2-phenylpropyl] carbamate
CID 175384997
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
benzamide;2,3-dimethylbutane
CID 162214835

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenylpentanamide?
The IUPAC name of 4-methyl-3-phenylpentanamide (CID 66616845) is 4-methyl-3-phenylpentanamide.
What is the SMILES notation for 4-methyl-3-phenylpentanamide?
The canonical SMILES for 4-methyl-3-phenylpentanamide is CC(C)C(CC(N)=O)c1ccccc1.
What is the InChIKey of 4-methyl-3-phenylpentanamide?
The InChIKey is WZCJNQSRCQLZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H2,13,14).
What are the key properties of 4-methyl-3-phenylpentanamide?
4-methyl-3-phenylpentanamide has a molecular weight of 191.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenylpentanamide is sourced from PubChem (CID 66616845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).