cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide

C15H22N2O2 — CID 69204145

IUPACcis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
SMILESN[C@H]1CCCC[C@H]1C(=O)NCCOc1ccccc1
InChIInChI=1S/C15H22N2O2/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,16H2,(H,17,18)/t13-,14+/m1/s1
InChIKeyNIJPCUFEOFEGIX-KGLIPLIRSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds5

About cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide

cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide (PubChem CID 69204145) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
PubChem CID69204145
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namecis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
SMILESN[C@H]1CCCC[C@H]1C(=O)NCCOc1ccccc1
InChIInChI=1S/C15H22N2O2/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,16H2,(H,17,18)/t13-,14+/m1/s1
InChIKeyNIJPCUFEOFEGIX-KGLIPLIRSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 64824425
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
CID 64818428
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
2-amino-N-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 64823369
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135
2-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119737689
3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694903

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide (CID 69204145) is cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide is N[C@H]1CCCC[C@H]1C(=O)NCCOc1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is NIJPCUFEOFEGIX-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,16H2,(H,17,18)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide?
cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 69204145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).