N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide

C16H23NO3 — CID 103798501

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2CCCCC2CO)c1
InChIInChI=1S/C16H23NO3/c1-20-14-7-4-5-12(9-14)10-16(19)17-15-8-3-2-6-13(15)11-18/h4-5,7,9,13,15,18H,2-3,6,8,10-11H2,1H3,(H,17,19)
InChIKeyRJFLVCPMKVCORL-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.90
Rot. Bonds5

About N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide

N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 103798501) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
PubChem CID103798501
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2CCCCC2CO)c1
InChIInChI=1S/C16H23NO3/c1-20-14-7-4-5-12(9-14)10-16(19)17-15-8-3-2-6-13(15)11-18/h4-5,7,9,13,15,18H,2-3,6,8,10-11H2,1H3,(H,17,19)
InChIKeyRJFLVCPMKVCORL-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 103709893
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(3-methoxyphenyl)acetamide
CID 104696228
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide
CID 103860366
2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860383
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
CID 103729783
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
CID 116584559
N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
CID 110279269
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide (CID 103798501) is N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC2CCCCC2CO)c1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is RJFLVCPMKVCORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-14-7-4-5-12(9-14)10-16(19)17-15-8-3-2-6-13(15)11-18/h4-5,7,9,13,15,18H,2-3,6,8,10-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 277.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 103798501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).