N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide

C16H23NO3 — CID 62520197

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C16H23NO3/c1-13(20-14-8-4-2-5-9-14)15(19)17-16(12-18)10-6-3-7-11-16/h2,4-5,8-9,13,18H,3,6-7,10-12H2,1H3,(H,17,19)
InChIKeyDVVUVTLOQBJNSD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.27
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide

N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide (PubChem CID 62520197) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide
PubChem CID62520197
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C16H23NO3/c1-13(20-14-8-4-2-5-9-14)15(19)17-16(12-18)10-6-3-7-11-16/h2,4-5,8-9,13,18H,3,6-7,10-12H2,1H3,(H,17,19)
InChIKeyDVVUVTLOQBJNSD-UHFFFAOYSA-N
XLogP2.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62522000
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide
CID 62527498
(2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 99826146
2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid
CID 79844671
phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
CID 62521229
(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 104897811
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
N'-acetyl-2-phenoxypropanehydrazide
CID 43011734
2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62551130
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 107905156

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide (CID 62520197) is N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide?
The InChIKey is DVVUVTLOQBJNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13(20-14-8-4-2-5-9-14)15(19)17-16(12-18)10-6-3-7-11-16/h2,4-5,8-9,13,18H,3,6-7,10-12H2,1H3,(H,17,19).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide has a molecular weight of 277.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide is sourced from PubChem (CID 62520197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).