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

C14H22N2O — CID 113416059

IUPAC3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(NC(=O)C(C)C(C)N)cc1
InChIInChI=1S/C14H22N2O/c1-9(2)12-5-7-13(8-6-12)16-14(17)10(3)11(4)15/h5-11H,15H2,1-4H3,(H,16,17)
InChIKeyAKJGYGSPTMKOLM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.73
Rot. Bonds4

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

3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 113416059) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide
PubChem CID113416059
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(NC(=O)C(C)C(C)N)cc1
InChIInChI=1S/C14H22N2O/c1-9(2)12-5-7-13(8-6-12)16-14(17)10(3)11(4)15/h5-11H,15H2,1-4H3,(H,16,17)
InChIKeyAKJGYGSPTMKOLM-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-amino-2-methylbutanoyl)amino]benzamide
CID 113416058
4-[(3-amino-2-methylbutanoyl)amino]-N-methylbenzamide
CID 113416120
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide
CID 120501367
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
1-methoxy-3-(4-propan-2-ylphenyl)urea
CID 134178123
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of 3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide (CID 113416059) is 3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for 3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide is CC(C)c1ccc(NC(=O)C(C)C(C)N)cc1.
What is the InChIKey of 3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is AKJGYGSPTMKOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)12-5-7-13(8-6-12)16-14(17)10(3)11(4)15/h5-11H,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide?
3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 113416059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).