2-phenylheptanamide

C13H19NO — CID 67221214

IUPAC2-phenylheptanamide
SMILESCCCCCC(C(N)=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-2-3-5-10-12(13(14)15)11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10H2,1H3,(H2,14,15)
InChIKeyIBQOVRDLDHDNSP-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds6

About 2-phenylheptanamide

2-phenylheptanamide (PubChem CID 67221214) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-phenylheptanamide.

Molecular Properties

Compound Name2-phenylheptanamide
PubChem CID67221214
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-phenylheptanamide
SMILESCCCCCC(C(N)=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-2-3-5-10-12(13(14)15)11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10H2,1H3,(H2,14,15)
InChIKeyIBQOVRDLDHDNSP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
ethane;pentan-2-one;2-phenylhexanamide
CID 143363215
methyl 2-phenylheptanoate
CID 143443478
2-phenylhexadecanoyl 2-phenylhexadecanoate
CID 89240017
ethane;(3S)-3-phenyloctan-2-one;propane
CID 143356286
2-phenyloctadecanoate
CID 22742145
2-phenyloctadecanoyl chloride
CID 154195260
propan-2-yl 2-phenylheptanoate
CID 11075819
butyl 2-phenyltetradecanoate
CID 70564720
benzyl 2-phenylheptanoate
CID 175026183
(2R)-2-phenylbutanamide
CID 139147476
3-hydroxy-2-phenyloctanamide
CID 70389819

Frequently Asked Questions

What is the IUPAC name of 2-phenylheptanamide?
The IUPAC name of 2-phenylheptanamide (CID 67221214) is 2-phenylheptanamide.
What is the SMILES notation for 2-phenylheptanamide?
The canonical SMILES for 2-phenylheptanamide is CCCCCC(C(N)=O)c1ccccc1.
What is the InChIKey of 2-phenylheptanamide?
The InChIKey is IBQOVRDLDHDNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-5-10-12(13(14)15)11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10H2,1H3,(H2,14,15).
What are the key properties of 2-phenylheptanamide?
2-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 2-phenylheptanamide is sourced from PubChem (CID 67221214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).