3-phenylheptanamide

C13H19NO — CID 91447364

IUPAC3-phenylheptanamide
SMILESCCCCC(CC(N)=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-2-3-7-12(10-13(14)15)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3,(H2,14,15)
InChIKeyAEWYUPXCHHLSSO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds6

About 3-phenylheptanamide

3-phenylheptanamide (PubChem CID 91447364) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-phenylheptanamide.

Molecular Properties

Compound Name3-phenylheptanamide
PubChem CID91447364
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-phenylheptanamide
SMILESCCCCC(CC(N)=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-2-3-7-12(10-13(14)15)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3,(H2,14,15)
InChIKeyAEWYUPXCHHLSSO-UHFFFAOYSA-N
XLogP2.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-diamino-4-phenylhexadecan-2-one
CID 70443579
10-phenyltetradecan-5-ylbenzene
CID 22891787
2-phenylheptyl hydrogen carbonate
CID 67179630
methyl 3-phenylundecanoate
CID 608715
7-phenyldodecyl hydrogen carbonate
CID 67181032
2-butyl-5-phenylnon-2-enamide
CID 140694803
4-phenylnonane-2-thione
CID 23365648
heptan-3-ylbenzene;methane
CID 159006232
ethyl (3S)-6-amino-3-phenylhexanoate
CID 70000941
ethyl (Z)-3-methyl-5-phenyldec-2-enoate
CID 101265966
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
[(2S)-2-phenylhexyl]hydrazine
CID 124537728

Frequently Asked Questions

What is the IUPAC name of 3-phenylheptanamide?
The IUPAC name of 3-phenylheptanamide (CID 91447364) is 3-phenylheptanamide.
What is the SMILES notation for 3-phenylheptanamide?
The canonical SMILES for 3-phenylheptanamide is CCCCC(CC(N)=O)c1ccccc1.
What is the InChIKey of 3-phenylheptanamide?
The InChIKey is AEWYUPXCHHLSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-7-12(10-13(14)15)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3,(H2,14,15).
What are the key properties of 3-phenylheptanamide?
3-phenylheptanamide has a molecular weight of 205.30 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylheptanamide is sourced from PubChem (CID 91447364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).