3-methyl-5-phenylpentanamide

C12H17NO — CID 66761020

IUPAC3-methyl-5-phenylpentanamide
SMILESCC(CCc1ccccc1)CC(N)=O
InChIInChI=1S/C12H17NO/c1-10(9-12(13)14)7-8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,13,14)
InChIKeyLDSHIDJQYWKFKI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.13
Rot. Bonds5

About 3-methyl-5-phenylpentanamide

3-methyl-5-phenylpentanamide (PubChem CID 66761020) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-methyl-5-phenylpentanamide.

Molecular Properties

Compound Name3-methyl-5-phenylpentanamide
PubChem CID66761020
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-methyl-5-phenylpentanamide
SMILESCC(CCc1ccccc1)CC(N)=O
InChIInChI=1S/C12H17NO/c1-10(9-12(13)14)7-8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,13,14)
InChIKeyLDSHIDJQYWKFKI-UHFFFAOYSA-N
XLogP2.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide
CID 94219124
4-amino-4-oxo-2-(2-phenylethyl)butanoic acid
CID 67288843
(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide
CID 95591362
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
2,4-dimethyl-6-phenylhexanoic acid
CID 174481116
1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one
CID 71882918
2-(2-phenylethyl)propanediamide
CID 66660020
2-methyl-4-phenylbutanoic acid
CID 66896591
carbamic acid;4-phenylbutane-1,2-diamine
CID 70126726
6-amino-5-methyl-1-phenylhexan-3-one
CID 116596581
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide
CID 86866265
N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide
CID 154844391

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenylpentanamide?
The IUPAC name of 3-methyl-5-phenylpentanamide (CID 66761020) is 3-methyl-5-phenylpentanamide.
What is the SMILES notation for 3-methyl-5-phenylpentanamide?
The canonical SMILES for 3-methyl-5-phenylpentanamide is CC(CCc1ccccc1)CC(N)=O.
What is the InChIKey of 3-methyl-5-phenylpentanamide?
The InChIKey is LDSHIDJQYWKFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(9-12(13)14)7-8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,13,14).
What are the key properties of 3-methyl-5-phenylpentanamide?
3-methyl-5-phenylpentanamide has a molecular weight of 191.27 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenylpentanamide is sourced from PubChem (CID 66761020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).