4-amino-N,3-dimethyl-N-phenylbutanamide

C12H18N2O — CID 81071544

IUPAC4-amino-N,3-dimethyl-N-phenylbutanamide
SMILESCC(CN)CC(=O)N(C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-10(9-13)8-12(15)14(2)11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3
InChIKeyRJFXQZQCZMARPV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.63
Rot. Bonds4

About 4-amino-N,3-dimethyl-N-phenylbutanamide

4-amino-N,3-dimethyl-N-phenylbutanamide (PubChem CID 81071544) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-phenylbutanamide
PubChem CID81071544
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-amino-N,3-dimethyl-N-phenylbutanamide
SMILESCC(CN)CC(=O)N(C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-10(9-13)8-12(15)14(2)11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3
InChIKeyRJFXQZQCZMARPV-UHFFFAOYSA-N
XLogP1.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-N-phenylpentanamide
CID 147359069
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide
CID 81079299
4-amino-N,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 115156272
4-amino-N-(3-chloro-4-fluorophenyl)-N,3-dimethylbutanamide
CID 115156319
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 81086515
4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115156304
3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
CID 82507336
4-amino-N,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
CID 115156292
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
CID 81087863
(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
CID 100920350
5-(4-fluoro-N-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62965611

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-phenylbutanamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-phenylbutanamide (CID 81071544) is 4-amino-N,3-dimethyl-N-phenylbutanamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-phenylbutanamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-phenylbutanamide is CC(CN)CC(=O)N(C)c1ccccc1.
What is the InChIKey of 4-amino-N,3-dimethyl-N-phenylbutanamide?
The InChIKey is RJFXQZQCZMARPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(9-13)8-12(15)14(2)11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3.
What are the key properties of 4-amino-N,3-dimethyl-N-phenylbutanamide?
4-amino-N,3-dimethyl-N-phenylbutanamide has a molecular weight of 206.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-phenylbutanamide is sourced from PubChem (CID 81071544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).