3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide

C15H19N3O2 — CID 63044296

IUPAC3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
SMILESN#CCOc1cccc(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C15H19N3O2/c16-7-8-20-14-6-2-5-13(10-14)18-15(19)11-3-1-4-12(17)9-11/h2,5-6,10-12H,1,3-4,8-9,17H2,(H,18,19)
InChIKeyJKRKVSZJIWSHMJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.04
Rot. Bonds4

About 3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide

3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 63044296) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID63044296
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
SMILESN#CCOc1cccc(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C15H19N3O2/c16-7-8-20-14-6-2-5-13(10-14)18-15(19)11-3-1-4-12(17)9-11/h2,5-6,10-12H,1,3-4,8-9,17H2,(H,18,19)
InChIKeyJKRKVSZJIWSHMJ-UHFFFAOYSA-N
XLogP2.04
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119808982
N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
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N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79776862
3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
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3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 63044900
3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 119884838
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129
[3-(cyanomethoxy)phenyl]urea
CID 43369607
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide (CID 63044296) is 3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide is N#CCOc1cccc(NC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of 3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is JKRKVSZJIWSHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-7-8-20-14-6-2-5-13(10-14)18-15(19)11-3-1-4-12(17)9-11/h2,5-6,10-12H,1,3-4,8-9,17H2,(H,18,19).
What are the key properties of 3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63044296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).