3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide

C17H26N2O3 — CID 119751617

IUPAC3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide
SMILESCc1cccc(OCC(O)CNC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C17H26N2O3/c1-12-4-2-7-16(8-12)22-11-15(20)10-19-17(21)13-5-3-6-14(18)9-13/h2,4,7-8,13-15,20H,3,5-6,9-11,18H2,1H3,(H,19,21)
InChIKeyXZUWLWDLCBKSSE-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.37
Rot. Bonds6

About 3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide

3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide (PubChem CID 119751617) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide
PubChem CID119751617
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide
SMILESCc1cccc(OCC(O)CNC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C17H26N2O3/c1-12-4-2-7-16(8-12)22-11-15(20)10-19-17(21)13-5-3-6-14(18)9-13/h2,4,7-8,13-15,20H,3,5-6,9-11,18H2,1H3,(H,19,21)
InChIKeyXZUWLWDLCBKSSE-UHFFFAOYSA-N
XLogP1.37
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide
CID 119742802
N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 119304938
3-amino-N-[3-(2-bromophenoxy)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 119809990
N-[2-hydroxy-3-(3-methylphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 110904517
(Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide
CID 110912798
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110911248
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
CID 111102858
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723309
1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 60970383
3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
CID 119795763
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide (CID 119751617) is 3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide is Cc1cccc(OCC(O)CNC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of 3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide?
The InChIKey is XZUWLWDLCBKSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-4-2-7-16(8-12)22-11-15(20)10-19-17(21)13-5-3-6-14(18)9-13/h2,4,7-8,13-15,20H,3,5-6,9-11,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide?
3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119751617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).