(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide

C17H25N3O — CID 61163539

IUPAC(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C17H25N3O/c1-4-10-20(17(21)16(19)13(3)5-2)12-15-8-6-14(11-18)7-9-15/h6-9,13,16H,4-5,10,12,19H2,1-3H3/t13-,16-/m0/s1
InChIKeyVLASLSYODDKYCI-BBRMVZONSA-N
MW287.41 g/mol
LogP2.67
Rot. Bonds7

About (2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide

(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide (PubChem CID 61163539) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
PubChem CID61163539
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C17H25N3O/c1-4-10-20(17(21)16(19)13(3)5-2)12-15-8-6-14(11-18)7-9-15/h6-9,13,16H,4-5,10,12,19H2,1-3H3/t13-,16-/m0/s1
InChIKeyVLASLSYODDKYCI-BBRMVZONSA-N
XLogP2.67
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.67
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)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide
CID 107144457
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861
2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869423
2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43185872
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
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
2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
CID 79805228

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide (CID 61163539) is (2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide is CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](N)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide?
The InChIKey is VLASLSYODDKYCI-BBRMVZONSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-10-20(17(21)16(19)13(3)5-2)12-15-8-6-14(11-18)7-9-15/h6-9,13,16H,4-5,10,12,19H2,1-3H3/t13-,16-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide?
(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide has a molecular weight of 287.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide is sourced from PubChem (CID 61163539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).