4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide

C16H24N2O3 — CID 81134804

IUPAC4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
SMILESCOc1cccc(C(O)CNC2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-21-14-4-2-3-12(9-14)15(19)10-18-13-7-5-11(6-8-13)16(17)20/h2-4,9,11,13,15,18-19H,5-8,10H2,1H3,(H2,17,20)
InChIKeyQNBOPNJBTBXLGG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.36
Rot. Bonds6

About 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide

4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide (PubChem CID 81134804) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
PubChem CID81134804
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
SMILESCOc1cccc(C(O)CNC2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-21-14-4-2-3-12(9-14)15(19)10-18-13-7-5-11(6-8-13)16(17)20/h2-4,9,11,13,15,18-19H,5-8,10H2,1H3,(H2,17,20)
InChIKeyQNBOPNJBTBXLGG-UHFFFAOYSA-N
XLogP1.36
TPSA84.58 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 ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
CID 113475226
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol
CID 81134353
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023538
3-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765481
1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol
CID 81133622
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
CID 61043138
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16786895
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66244884
4-(2-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748733

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide (CID 81134804) is 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide is COc1cccc(C(O)CNC2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide?
The InChIKey is QNBOPNJBTBXLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-21-14-4-2-3-12(9-14)15(19)10-18-13-7-5-11(6-8-13)16(17)20/h2-4,9,11,13,15,18-19H,5-8,10H2,1H3,(H2,17,20).
What are the key properties of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide?
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 81134804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).