1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide

C16H22N2O2 — CID 119303127

IUPAC1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide
SMILESC=CCOc1cccc(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C16H22N2O2/c1-2-11-20-14-8-6-7-13(12-14)18-15(19)16(17)9-4-3-5-10-16/h2,6-8,12H,1,3-5,9-11,17H2,(H,18,19)
InChIKeyBPICMJHYALIOOV-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.85
Rot. Bonds5

About 1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide

1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 119303127) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide
PubChem CID119303127
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide
SMILESC=CCOc1cccc(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C16H22N2O2/c1-2-11-20-14-8-6-7-13(12-14)18-15(19)16(17)9-4-3-5-10-16/h2,6-8,12H,1,3-5,9-11,17H2,(H,18,19)
InChIKeyBPICMJHYALIOOV-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 81169639
1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide
CID 119284187
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119702073
1-amino-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 60867410
1-amino-N-[3-(2-methylpropoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119714874
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
1-(1-ethylcyclopentyl)-3-(3-prop-2-enoxyphenyl)thiourea
CID 100771289
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
1-amino-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119287655
1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide (CID 119303127) is 1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide is C=CCOc1cccc(NC(=O)C2(N)CCCCC2)c1.
What is the InChIKey of 1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is BPICMJHYALIOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-11-20-14-8-6-7-13(12-14)18-15(19)16(17)9-4-3-5-10-16/h2,6-8,12H,1,3-5,9-11,17H2,(H,18,19).
What are the key properties of 1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide?
1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119303127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).