3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide

C16H24N2O2 — CID 119742923

IUPAC3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1OCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C16H24N2O2/c1-12-5-2-3-8-15(12)20-10-9-18-16(19)13-6-4-7-14(17)11-13/h2-3,5,8,13-14H,4,6-7,9-11,17H2,1H3,(H,18,19)
InChIKeyVBEWHQUIZUPMNI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds5

About 3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide

3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 119742923) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID119742923
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1OCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C16H24N2O2/c1-12-5-2-3-8-15(12)20-10-9-18-16(19)13-6-4-7-14(17)11-13/h2-3,5,8,13-14H,4,6-7,9-11,17H2,1H3,(H,18,19)
InChIKeyVBEWHQUIZUPMNI-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.01
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

3-amino-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119742919
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624791
N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119317016
2-cyclopentyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 60538479
3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693830
9-amino-N-[2-(2,6-dimethylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986147
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
3-amino-N-[[2-(2-methylpropoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119739863
2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742933
3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694903
9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987690

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide (CID 119742923) is 3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide is Cc1ccccc1OCCNC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is VBEWHQUIZUPMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-2-3-8-15(12)20-10-9-18-16(19)13-6-4-7-14(17)11-13/h2-3,5,8,13-14H,4,6-7,9-11,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119742923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).