3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide

C14H22N2O — CID 64683934

IUPAC3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(NC(=O)CC(C)(C)N)cc1
InChIInChI=1S/C14H22N2O/c1-10(2)11-5-7-12(8-6-11)16-13(17)9-14(3,4)15/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyQURXVNISOKJLFE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.88
Rot. Bonds4

About 3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide

3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 64683934) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
PubChem CID64683934
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(NC(=O)CC(C)(C)N)cc1
InChIInChI=1S/C14H22N2O/c1-10(2)11-5-7-12(8-6-11)16-13(17)9-14(3,4)15/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyQURXVNISOKJLFE-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide
CID 115154849
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391
3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 64683356
2-[(2-methylpropan-2-yl)oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 112604884
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide
CID 64684848
3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 22776030
2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672801
4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64683641
2-acetamido-N-(4-propan-2-ylphenyl)acetamide
CID 110687041

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide (CID 64683934) is 3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide is CC(C)c1ccc(NC(=O)CC(C)(C)N)cc1.
What is the InChIKey of 3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is QURXVNISOKJLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)11-5-7-12(8-6-11)16-13(17)9-14(3,4)15/h5-8,10H,9,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide?
3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 64683934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).