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

C17H21N3O — CID 79209292

IUPAC4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C17H21N3O/c1-2-9-20(17(21)15-7-8-16(19)10-15)12-14-5-3-13(11-18)4-6-14/h3-8,15-16H,2,9-10,12,19H2,1H3
InChIKeyJGVZAXQSGCACLJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.20
Rot. Bonds5

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

4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide (PubChem CID 79209292) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide
PubChem CID79209292
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C17H21N3O/c1-2-9-20(17(21)15-7-8-16(19)10-15)12-14-5-3-13(11-18)4-6-14/h3-8,15-16H,2,9-10,12,19H2,1H3
InChIKeyJGVZAXQSGCACLJ-UHFFFAOYSA-N
XLogP2.20
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
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-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973
2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 55593679
(2S,4S)-N-[(4-cyanophenyl)methyl]-4-methoxy-1-methyl-N-propylpyrrolidine-2-carboxamide
CID 128978454
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
CID 79805228
2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide
CID 60944200
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777
N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide
CID 55609453
(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
CID 61163539
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide
CID 107144457
N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103028790

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide (CID 79209292) is 4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide is CCCN(Cc1ccc(C#N)cc1)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide?
The InChIKey is JGVZAXQSGCACLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-9-20(17(21)15-7-8-16(19)10-15)12-14-5-3-13(11-18)4-6-14/h3-8,15-16H,2,9-10,12,19H2,1H3.
What are the key properties of 4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide?
4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79209292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).