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

C16H21N3O — CID 64824319

IUPAC2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCCC1N)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O/c1-11(13-8-6-12(10-17)7-9-13)19-16(20)14-4-2-3-5-15(14)18/h6-9,11,14-15H,2-5,18H2,1H3,(H,19,20)
InChIKeyCUSWBZVSVMUONM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.25
Rot. Bonds3

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

2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 64824319) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID64824319
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCCC1N)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O/c1-11(13-8-6-12(10-17)7-9-13)19-16(20)14-4-2-3-5-15(14)18/h6-9,11,14-15H,2-5,18H2,1H3,(H,19,20)
InChIKeyCUSWBZVSVMUONM-UHFFFAOYSA-N
XLogP2.25
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81363570
2-amino-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197001
2-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81355221
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63715441
2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81360813
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81365382
N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
CID 55150795
2-amino-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 64824650
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cycloheptane-1-carboxamide
CID 81366921

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide (CID 64824319) is 2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCCCC1N)c1ccc(C#N)cc1.
What is the InChIKey of 2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is CUSWBZVSVMUONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(13-8-6-12(10-17)7-9-13)19-16(20)14-4-2-3-5-15(14)18/h6-9,11,14-15H,2-5,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide?
2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64824319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).