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

C16H23N3O — CID 60944200

IUPAC2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide
SMILESCCCC(N)C(=O)N(CCC)Cc1ccc(C#N)cc1
InChIInChI=1S/C16H23N3O/c1-3-5-15(18)16(20)19(10-4-2)12-14-8-6-13(11-17)7-9-14/h6-9,15H,3-5,10,12,18H2,1-2H3
InChIKeyBCORQTUJNABCJU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.42
Rot. Bonds7

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

2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide (PubChem CID 60944200) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide
PubChem CID60944200
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide
SMILESCCCC(N)C(=O)N(CCC)Cc1ccc(C#N)cc1
InChIInChI=1S/C16H23N3O/c1-3-5-15(18)16(20)19(10-4-2)12-14-8-6-13(11-17)7-9-14/h6-9,15H,3-5,10,12,18H2,1-2H3
InChIKeyBCORQTUJNABCJU-UHFFFAOYSA-N
XLogP2.42
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide
CID 107144457
(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
CID 61163539
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050
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-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 43650188
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 107568965
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
CID 115949755

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide?
The IUPAC name of 2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide (CID 60944200) is 2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide.
What is the SMILES notation for 2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide?
The canonical SMILES for 2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide is CCCC(N)C(=O)N(CCC)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide?
The InChIKey is BCORQTUJNABCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-5-15(18)16(20)19(10-4-2)12-14-8-6-13(11-17)7-9-14/h6-9,15H,3-5,10,12,18H2,1-2H3.
What are the key properties of 2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide?
2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide has a molecular weight of 273.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide is sourced from PubChem (CID 60944200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).