N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide

C16H24N2O — CID 129071865

IUPACN-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NC[C@@H](N)c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-12-6-5-9-14(10-12)16(19)18-11-15(17)13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11,17H2,1H3,(H,18,19)/t12?,14?,15-/m1/s1
InChIKeyXBRJULCHLOULNT-PESDSKBTSA-N
MW260.38 g/mol
LogP2.63
Rot. Bonds4

About N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide

N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 129071865) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide
PubChem CID129071865
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NC[C@@H](N)c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-12-6-5-9-14(10-12)16(19)18-11-15(17)13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11,17H2,1H3,(H,18,19)/t12?,14?,15-/m1/s1
InChIKeyXBRJULCHLOULNT-PESDSKBTSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide
CID 107180698
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
CID 119525287
N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81478648
N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride
CID 119528546
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
CID 119529448
N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide
CID 79760131
3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide
CID 84584646
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone
CID 103458039
N-(2-amino-2-phenylethyl)adamantane-2-carboxamide
CID 119528854

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide (CID 129071865) is N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide is CC1CCCC(C(=O)NC[C@@H](N)c2ccccc2)C1.
What is the InChIKey of N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is XBRJULCHLOULNT-PESDSKBTSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-6-5-9-14(10-12)16(19)18-11-15(17)13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11,17H2,1H3,(H,18,19)/t12?,14?,15-/m1/s1.
What are the key properties of N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide?
N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 129071865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).