(2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide

C17H25N3O — CID 107144457

IUPAC(2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide
SMILESCCCC[C@H](N)C(=O)N(CCC)Cc1ccc(C#N)cc1
InChIInChI=1S/C17H25N3O/c1-3-5-6-16(19)17(21)20(11-4-2)13-15-9-7-14(12-18)8-10-15/h7-10,16H,3-6,11,13,19H2,1-2H3/t16-/m0/s1
InChIKeyJBIHBRHYXMNTFO-INIZCTEOSA-N
MW287.41 g/mol
LogP2.81
Rot. Bonds8

About (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide

(2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide (PubChem CID 107144457) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide
PubChem CID107144457
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide
SMILESCCCC[C@H](N)C(=O)N(CCC)Cc1ccc(C#N)cc1
InChIInChI=1S/C17H25N3O/c1-3-5-6-16(19)17(21)20(11-4-2)13-15-9-7-14(12-18)8-10-15/h7-10,16H,3-6,11,13,19H2,1-2H3/t16-/m0/s1
InChIKeyJBIHBRHYXMNTFO-INIZCTEOSA-N
XLogP2.81
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide
CID 60944200
(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
CID 61163539
(2S)-2-amino-N-benzyl-N-(cyanomethyl)hexanamide
CID 93469866
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399
2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
CID 79805228
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115
2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide
CID 54870529
N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide
CID 43459457
N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
CID 115949755
N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103028790

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide?
The IUPAC name of (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide (CID 107144457) is (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide is CCCC[C@H](N)C(=O)N(CCC)Cc1ccc(C#N)cc1.
What is the InChIKey of (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide?
The InChIKey is JBIHBRHYXMNTFO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-5-6-16(19)17(21)20(11-4-2)13-15-9-7-14(12-18)8-10-15/h7-10,16H,3-6,11,13,19H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide?
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide has a molecular weight of 287.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide is sourced from PubChem (CID 107144457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).