3-amino-N-(3,5-dimethylphenyl)butanamide

C12H18N2O — CID 60836814

IUPAC3-amino-N-(3,5-dimethylphenyl)butanamide
SMILESCc1cc(C)cc(NC(=O)CC(C)N)c1
InChIInChI=1S/C12H18N2O/c1-8-4-9(2)6-11(5-8)14-12(15)7-10(3)13/h4-6,10H,7,13H2,1-3H3,(H,14,15)
InChIKeyZSYBQAPNIDTEEV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.98
Rot. Bonds3

About 3-amino-N-(3,5-dimethylphenyl)butanamide

3-amino-N-(3,5-dimethylphenyl)butanamide (PubChem CID 60836814) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethylphenyl)butanamide
PubChem CID60836814
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-N-(3,5-dimethylphenyl)butanamide
SMILESCc1cc(C)cc(NC(=O)CC(C)N)c1
InChIInChI=1S/C12H18N2O/c1-8-4-9(2)6-11(5-8)14-12(15)7-10(3)13/h4-6,10H,7,13H2,1-3H3,(H,14,15)
InChIKeyZSYBQAPNIDTEEV-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl 5-(3-aminobutanoylamino)benzene-1,3-dicarboxylate
CID 61254635
3-amino-N-(3-ethyl-4-methylphenyl)butanamide
CID 120874215
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
(2S)-4-(3,5-dimethylanilino)-2-[[(2S)-2-hydroxypropyl]amino]-4-oxobutanoic acid
CID 7591647
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224
(3S)-N-(3,5-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708031

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethylphenyl)butanamide?
The IUPAC name of 3-amino-N-(3,5-dimethylphenyl)butanamide (CID 60836814) is 3-amino-N-(3,5-dimethylphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethylphenyl)butanamide?
The canonical SMILES for 3-amino-N-(3,5-dimethylphenyl)butanamide is Cc1cc(C)cc(NC(=O)CC(C)N)c1.
What is the InChIKey of 3-amino-N-(3,5-dimethylphenyl)butanamide?
The InChIKey is ZSYBQAPNIDTEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-4-9(2)6-11(5-8)14-12(15)7-10(3)13/h4-6,10H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-N-(3,5-dimethylphenyl)butanamide?
3-amino-N-(3,5-dimethylphenyl)butanamide has a molecular weight of 206.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethylphenyl)butanamide is sourced from PubChem (CID 60836814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).