N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide

C16H23N3O — CID 43272096

IUPACN-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
SMILESCC(C)CN(C)CCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H23N3O/c1-13(2)12-19(3)10-4-5-16(20)18-15-8-6-14(11-17)7-9-15/h6-9,13H,4-5,10,12H2,1-3H3,(H,18,20)
InChIKeyAUAVXPTWCXUCIN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.86
Rot. Bonds7

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

N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide (PubChem CID 43272096) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
PubChem CID43272096
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
SMILESCC(C)CN(C)CCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H23N3O/c1-13(2)12-19(3)10-4-5-16(20)18-15-8-6-14(11-17)7-9-15/h6-9,13H,4-5,10,12H2,1-3H3,(H,18,20)
InChIKeyAUAVXPTWCXUCIN-UHFFFAOYSA-N
XLogP2.86
TPSA56.13 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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273712
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide
CID 91838383
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
4-butan-2-yloxy-N-(4-cyanophenyl)butanamide
CID 54943716
N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61448568
N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 80710244
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide?
The IUPAC name of N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide (CID 43272096) is N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide?
The canonical SMILES for N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide is CC(C)CN(C)CCCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide?
The InChIKey is AUAVXPTWCXUCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)12-19(3)10-4-5-16(20)18-15-8-6-14(11-17)7-9-15/h6-9,13H,4-5,10,12H2,1-3H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide?
N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide has a molecular weight of 273.38 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide is sourced from PubChem (CID 43272096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).