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

C15H19N3O — CID 65466399

IUPAC1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1(N)CC1
InChIInChI=1S/C15H19N3O/c1-2-9-18(14(19)15(17)7-8-15)11-13-5-3-12(10-16)4-6-13/h3-6H,2,7-9,11,17H2,1H3
InChIKeyLXISRLCUXPMUAS-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.79
Rot. Bonds5

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

1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide (PubChem CID 65466399) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
PubChem CID65466399
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1(N)CC1
InChIInChI=1S/C15H19N3O/c1-2-9-18(14(19)15(17)7-8-15)11-13-5-3-12(10-16)4-6-13/h3-6H,2,7-9,11,17H2,1H3
InChIKeyLXISRLCUXPMUAS-UHFFFAOYSA-N
XLogP1.79
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 63143620
2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
CID 79805228
N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide
CID 111446250
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide
CID 60944200
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777
4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide
CID 79209292
(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
N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
CID 115949755
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide (CID 65466399) is 1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide is CCCN(Cc1ccc(C#N)cc1)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide?
The InChIKey is LXISRLCUXPMUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-9-18(14(19)15(17)7-8-15)11-13-5-3-12(10-16)4-6-13/h3-6H,2,7-9,11,17H2,1H3.
What are the key properties of 1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide?
1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 65466399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).