3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide

C16H20N2O2 — CID 111333105

IUPAC3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESN#Cc1ccc(CCC(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C16H20N2O2/c17-11-14-5-3-13(4-6-14)7-8-15(19)18-12-16(20)9-1-2-10-16/h3-6,20H,1-2,7-10,12H2,(H,18,19)
InChIKeyJZVSSZUEMOZIOB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.91
Rot. Bonds5

About 3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide

3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide (PubChem CID 111333105) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
PubChem CID111333105
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESN#Cc1ccc(CCC(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C16H20N2O2/c17-11-14-5-3-13(4-6-14)7-8-15(19)18-12-16(20)9-1-2-10-16/h3-6,20H,1-2,7-10,12H2,(H,18,19)
InChIKeyJZVSSZUEMOZIOB-UHFFFAOYSA-N
XLogP1.91
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyanophenyl)-N-[(3-hydroxythiolan-3-yl)methyl]propanamide
CID 111596950
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CID 64867195
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide
CID 78830549
2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445375
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 114760850
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851
3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79039118
N-[2-[3-(4-cyanophenyl)propanoylamino]ethyl]-2-methylpropanamide
CID 33121519
3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573373

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide (CID 111333105) is 3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide is N#Cc1ccc(CCC(=O)NCC2(O)CCCC2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is JZVSSZUEMOZIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-11-14-5-3-13(4-6-14)7-8-15(19)18-12-16(20)9-1-2-10-16/h3-6,20H,1-2,7-10,12H2,(H,18,19).
What are the key properties of 3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 111333105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).