4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide

C17H23N3O — CID 60963774

IUPAC4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCN(Cc1ccccc1C#N)C(=O)C1CCC(N)CC1
InChIInChI=1S/C17H23N3O/c1-2-20(12-15-6-4-3-5-14(15)11-18)17(21)13-7-9-16(19)10-8-13/h3-6,13,16H,2,7-10,12,19H2,1H3
InChIKeyDQMMJBLQDVLTAH-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.42
Rot. Bonds4

About 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide

4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide (PubChem CID 60963774) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
PubChem CID60963774
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCN(Cc1ccccc1C#N)C(=O)C1CCC(N)CC1
InChIInChI=1S/C17H23N3O/c1-2-20(12-15-6-4-3-5-14(15)11-18)17(21)13-7-9-16(19)10-8-13/h3-6,13,16H,2,7-10,12,19H2,1H3
InChIKeyDQMMJBLQDVLTAH-UHFFFAOYSA-N
XLogP2.42
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2-cyanophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 104913445
ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
CID 61355544
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149507
N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide
CID 107435356
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
CID 60921545
2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide
CID 79287312
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655924
5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 82011067
2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide
CID 115286741

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide (CID 60963774) is 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide is CCN(Cc1ccccc1C#N)C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide?
The InChIKey is DQMMJBLQDVLTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20(12-15-6-4-3-5-14(15)11-18)17(21)13-7-9-16(19)10-8-13/h3-6,13,16H,2,7-10,12,19H2,1H3.
What are the key properties of 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide?
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 60963774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).