2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide

C16H24N2O3 — CID 106132626

IUPAC2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNCC2CCCC(O)C2)c1
InChIInChI=1S/C16H24N2O3/c1-21-15-7-3-5-13(9-15)18-16(20)11-17-10-12-4-2-6-14(19)8-12/h3,5,7,9,12,14,17,19H,2,4,6,8,10-11H2,1H3,(H,18,20)
InChIKeyOFYZKUNZUKHIBC-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.77
Rot. Bonds6

About 2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide

2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 106132626) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID106132626
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNCC2CCCC(O)C2)c1
InChIInChI=1S/C16H24N2O3/c1-21-15-7-3-5-13(9-15)18-16(20)11-17-10-12-4-2-6-14(19)8-12/h3,5,7,9,12,14,17,19H,2,4,6,8,10-11H2,1H3,(H,18,20)
InChIKeyOFYZKUNZUKHIBC-UHFFFAOYSA-N
XLogP1.77
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27017960
N-(3-cyclopentyloxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119714958
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
2-(cyclopropylmethylamino)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723471
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea
CID 111473884
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide
CID 43180111
N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
CID 1133388
N-(3-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
CID 82940732
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 109397891

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide (CID 106132626) is 2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CNCC2CCCC(O)C2)c1.
What is the InChIKey of 2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is OFYZKUNZUKHIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-21-15-7-3-5-13(9-15)18-16(20)11-17-10-12-4-2-6-14(19)8-12/h3,5,7,9,12,14,17,19H,2,4,6,8,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide?
2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 106132626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).