3-hydroxy-3-phenylheptanamide

C13H19NO2 — CID 11253019

IUPAC3-hydroxy-3-phenylheptanamide
SMILESCCCCC(O)(CC(N)=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-9-13(16,10-12(14)15)11-7-5-4-6-8-11/h4-8,16H,2-3,9-10H2,1H3,(H2,14,15)
InChIKeyRKDGPWFJQJIRMJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.94
Rot. Bonds6

About 3-hydroxy-3-phenylheptanamide

3-hydroxy-3-phenylheptanamide (PubChem CID 11253019) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-hydroxy-3-phenylheptanamide.

Molecular Properties

Compound Name3-hydroxy-3-phenylheptanamide
PubChem CID11253019
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-hydroxy-3-phenylheptanamide
SMILESCCCCC(O)(CC(N)=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-9-13(16,10-12(14)15)11-7-5-4-6-8-11/h4-8,16H,2-3,9-10H2,1H3,(H2,14,15)
InChIKeyRKDGPWFJQJIRMJ-UHFFFAOYSA-N
XLogP1.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
2,2-diphenylhexanamide;hydrochloride
CID 142429226
10-phenylnonadecane-1,10-diol
CID 159665017
1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol
CID 155206594
2-phenylhexan-2-ylurea
CID 121306915
3-butyl-3-phenylheptan-2-one
CID 11776692
dilithium;2-butyl-2-phenylpropanedioate
CID 139411834
2-bromo-2-phenylheptanamide
CID 57012582
1,2-diphenylheptan-2-ol
CID 139785734
dipotassium;2-butyl-2-phenylpropanedioate
CID 139411291
3,3-diphenylpentanediamide
CID 141227643

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenylheptanamide?
The IUPAC name of 3-hydroxy-3-phenylheptanamide (CID 11253019) is 3-hydroxy-3-phenylheptanamide.
What is the SMILES notation for 3-hydroxy-3-phenylheptanamide?
The canonical SMILES for 3-hydroxy-3-phenylheptanamide is CCCCC(O)(CC(N)=O)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenylheptanamide?
The InChIKey is RKDGPWFJQJIRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-9-13(16,10-12(14)15)11-7-5-4-6-8-11/h4-8,16H,2-3,9-10H2,1H3,(H2,14,15).
What are the key properties of 3-hydroxy-3-phenylheptanamide?
3-hydroxy-3-phenylheptanamide has a molecular weight of 221.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenylheptanamide is sourced from PubChem (CID 11253019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).