4-amino-N-(4-cyanophenyl)-3-methylbutanamide

C12H15N3O — CID 81070999

IUPAC4-amino-N-(4-cyanophenyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C12H15N3O/c1-9(7-13)6-12(16)15-11-4-2-10(8-14)3-5-11/h2-5,9H,6-7,13H2,1H3,(H,15,16)
InChIKeyGQVGRNYDFVTSIN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.48
Rot. Bonds4

About 4-amino-N-(4-cyanophenyl)-3-methylbutanamide

4-amino-N-(4-cyanophenyl)-3-methylbutanamide (PubChem CID 81070999) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-amino-N-(4-cyanophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-cyanophenyl)-3-methylbutanamide
PubChem CID81070999
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-amino-N-(4-cyanophenyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C12H15N3O/c1-9(7-13)6-12(16)15-11-4-2-10(8-14)3-5-11/h2-5,9H,6-7,13H2,1H3,(H,15,16)
InChIKeyGQVGRNYDFVTSIN-UHFFFAOYSA-N
XLogP1.48
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
4-amino-N-(2-chloro-5-cyanophenyl)-3-methylbutanamide
CID 81079180
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea
CID 104877168
N-(4-cyanophenyl)-N'-propan-2-ylpropanediamide
CID 108940955
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide
CID 115156226
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
4-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 81075432
N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7818621
N-(4-cyanophenyl)pentanamide
CID 2162994

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-cyanophenyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(4-cyanophenyl)-3-methylbutanamide (CID 81070999) is 4-amino-N-(4-cyanophenyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(4-cyanophenyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(4-cyanophenyl)-3-methylbutanamide is CC(CN)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 4-amino-N-(4-cyanophenyl)-3-methylbutanamide?
The InChIKey is GQVGRNYDFVTSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(7-13)6-12(16)15-11-4-2-10(8-14)3-5-11/h2-5,9H,6-7,13H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(4-cyanophenyl)-3-methylbutanamide?
4-amino-N-(4-cyanophenyl)-3-methylbutanamide has a molecular weight of 217.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-cyanophenyl)-3-methylbutanamide is sourced from PubChem (CID 81070999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).