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

C16H23N3O — CID 79805228

IUPAC2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(N)CC
InChIInChI=1S/C16H23N3O/c1-4-10-19(15(20)16(3,18)5-2)12-14-8-6-13(11-17)7-9-14/h6-9H,4-5,10,12,18H2,1-3H3
InChIKeyDCUMDFXUVKLEBQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.42
Rot. Bonds6

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

2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide (PubChem CID 79805228) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
PubChem CID79805228
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(N)CC
InChIInChI=1S/C16H23N3O/c1-4-10-19(15(20)16(3,18)5-2)12-14-8-6-13(11-17)7-9-14/h6-9H,4-5,10,12,18H2,1-3H3
InChIKeyDCUMDFXUVKLEBQ-UHFFFAOYSA-N
XLogP2.42
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-amino-N-benzyl-2-methyl-N-propylbutanamide
CID 79797442
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
1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide
CID 60944200
2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
CID 79811112
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide
CID 79805312
(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
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide?
The IUPAC name of 2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide (CID 79805228) is 2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide.
What is the SMILES notation for 2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide?
The canonical SMILES for 2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide is CCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(N)CC.
What is the InChIKey of 2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide?
The InChIKey is DCUMDFXUVKLEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-10-19(15(20)16(3,18)5-2)12-14-8-6-13(11-17)7-9-14/h6-9H,4-5,10,12,18H2,1-3H3.
What are the key properties of 2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide?
2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide has a molecular weight of 273.38 g/mol, XLogP of 2.42, 6 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]-2-methyl-N-propylbutanamide is sourced from PubChem (CID 79805228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).