2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide

C16H24N2O2 — CID 81363570

IUPAC2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)C2CCCCC2N)cc1
InChIInChI=1S/C16H24N2O2/c1-11(12-7-9-13(20-2)10-8-12)18-16(19)14-5-3-4-6-15(14)17/h7-11,14-15H,3-6,17H2,1-2H3,(H,18,19)/t11-,14?,15?/m1/s1
InChIKeyXKVLFBLWUCPJLQ-VCANKDNSSA-N
MW276.38 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide

2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 81363570) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID81363570
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)C2CCCCC2N)cc1
InChIInChI=1S/C16H24N2O2/c1-11(12-7-9-13(20-2)10-8-12)18-16(19)14-5-3-4-6-15(14)17/h7-11,14-15H,3-6,17H2,1-2H3,(H,18,19)/t11-,14?,15?/m1/s1
InChIKeyXKVLFBLWUCPJLQ-VCANKDNSSA-N
XLogP2.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197001
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81355949
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
2-amino-N-[1-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823175
2-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81355221
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide
CID 64824319
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide (CID 81363570) is 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide is COc1ccc([C@@H](C)NC(=O)C2CCCCC2N)cc1.
What is the InChIKey of 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is XKVLFBLWUCPJLQ-VCANKDNSSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(12-7-9-13(20-2)10-8-12)18-16(19)14-5-3-4-6-15(14)17/h7-11,14-15H,3-6,17H2,1-2H3,(H,18,19)/t11-,14?,15?/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide?
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81363570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).