3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride

C16H25ClN2O — CID 119950222

IUPAC3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
SMILESCC1(NC(=O)CC(N)c2ccccc2)CCCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-16(10-6-3-7-11-16)18-15(19)12-14(17)13-8-4-2-5-9-13;/h2,4-5,8-9,14H,3,6-7,10-12,17H2,1H3,(H,18,19);1H
InChIKeyXSWIKJZUNDRYCQ-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.34
Rot. Bonds4

About 3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride

3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119950222) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
PubChem CID119950222
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
SMILESCC1(NC(=O)CC(N)c2ccccc2)CCCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-16(10-6-3-7-11-16)18-15(19)12-14(17)13-8-4-2-5-9-13;/h2,4-5,8-9,14H,3,6-7,10-12,17H2,1H3,(H,18,19);1H
InChIKeyXSWIKJZUNDRYCQ-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115748794
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3-amino-2-methyl-N-(1-methylcyclopentyl)-3-phenylpropanamide
CID 80552093
3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
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3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119952491
3-amino-3-phenylpropanoic acid;methyl 1-aminocyclopropane-1-carboxylate;dihydrochloride
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3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride (CID 119950222) is 3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride is CC1(NC(=O)CC(N)c2ccccc2)CCCCC1.Cl.
What is the InChIKey of 3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is XSWIKJZUNDRYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-16(10-6-3-7-11-16)18-15(19)12-14(17)13-8-4-2-5-9-13;/h2,4-5,8-9,14H,3,6-7,10-12,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).