N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide

C16H23NO3 — CID 103160504

IUPACN-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(O)CC2CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-12(18)17-14-7-4-8-16(10-14)20-11-15(19)9-13-5-2-3-6-13/h4,7-8,10,13,15,19H,2-3,5-6,9,11H2,1H3,(H,17,18)
InChIKeyLFRRGAKKYDOUEW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.96
Rot. Bonds6

About N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide

N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide (PubChem CID 103160504) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide
PubChem CID103160504
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(O)CC2CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-12(18)17-14-7-4-8-16(10-14)20-11-15(19)9-13-5-2-3-6-13/h4,7-8,10,13,15,19H,2-3,5-6,9,11H2,1H3,(H,17,18)
InChIKeyLFRRGAKKYDOUEW-UHFFFAOYSA-N
XLogP2.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-cyclopentyl-2-hydroxypropyl)amino]phenyl]acetamide
CID 103157101
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 103156399
1-[3-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
CID 3032075
N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide
CID 23325745
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide
CID 90577231
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide
CID 64758724
N-[3-[2-(bromomethyl)-3-methylbutoxy]phenyl]acetamide
CID 65011994

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide?
The IUPAC name of N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide (CID 103160504) is N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide is CC(=O)Nc1cccc(OCC(O)CC2CCCC2)c1.
What is the InChIKey of N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide?
The InChIKey is LFRRGAKKYDOUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(18)17-14-7-4-8-16(10-14)20-11-15(19)9-13-5-2-3-6-13/h4,7-8,10,13,15,19H,2-3,5-6,9,11H2,1H3,(H,17,18).
What are the key properties of N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide?
N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide is sourced from PubChem (CID 103160504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).