3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride

C17H27ClN2O2 — CID 119952000

IUPAC3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCC1(CNC(=O)CC(N)c2ccccc2)CCCCC1O.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-17(10-6-5-9-15(17)20)12-19-16(21)11-14(18)13-7-3-2-4-8-13;/h2-4,7-8,14-15,20H,5-6,9-12,18H2,1H3,(H,19,21);1H
InChIKeyHEHPUOBFVUIIQQ-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.56
Rot. Bonds5

About 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119952000) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride
PubChem CID119952000
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCC1(CNC(=O)CC(N)c2ccccc2)CCCCC1O.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-17(10-6-5-9-15(17)20)12-19-16(21)11-14(18)13-7-3-2-4-8-13;/h2-4,7-8,14-15,20H,5-6,9-12,18H2,1H3,(H,19,21);1H
InChIKeyHEHPUOBFVUIIQQ-UHFFFAOYSA-N
XLogP2.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119801902
3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride
CID 119951995
2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide
CID 71863517
3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119952491
3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119950222
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119801888
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951028
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119950889
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
N-(2-amino-2-phenylethyl)-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 119529565
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119952204

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride (CID 119952000) is 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride is CC1(CNC(=O)CC(N)c2ccccc2)CCCCC1O.Cl.
What is the InChIKey of 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is HEHPUOBFVUIIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-17(10-6-5-9-15(17)20)12-19-16(21)11-14(18)13-7-3-2-4-8-13;/h2-4,7-8,14-15,20H,5-6,9-12,18H2,1H3,(H,19,21);1H.
What are the key properties of 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119952000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).