N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide

C16H20N2O2 — CID 111520470

IUPACN-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESN#Cc1cccc(CNC(=O)CC2(O)CCCCC2)c1
InChIInChI=1S/C16H20N2O2/c17-11-13-5-4-6-14(9-13)12-18-15(19)10-16(20)7-2-1-3-8-16/h4-6,9,20H,1-3,7-8,10,12H2,(H,18,19)
InChIKeyWTSYSAIPUAAELM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.26
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide

N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111520470) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111520470
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESN#Cc1cccc(CNC(=O)CC2(O)CCCCC2)c1
InChIInChI=1S/C16H20N2O2/c17-11-13-5-4-6-14(9-13)12-18-15(19)10-16(20)7-2-1-3-8-16/h4-6,9,20H,1-3,7-8,10,12H2,(H,18,19)
InChIKeyWTSYSAIPUAAELM-UHFFFAOYSA-N
XLogP2.26
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-cyanophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936552
3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 54936607
N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 103520088
N-[(3-chlorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430252
N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538113
2-(1-hydroxycyclopentyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 111430199
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
CID 47216904
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430735
1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114994248
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide (CID 111520470) is N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide is N#Cc1cccc(CNC(=O)CC2(O)CCCCC2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is WTSYSAIPUAAELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-11-13-5-4-6-14(9-13)12-18-15(19)10-16(20)7-2-1-3-8-16/h4-6,9,20H,1-3,7-8,10,12H2,(H,18,19).
What are the key properties of N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111520470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).