2-amino-3-methyl-N-(4-propylphenyl)butanamide

C14H22N2O — CID 43378687

IUPAC2-amino-3-methyl-N-(4-propylphenyl)butanamide
SMILESCCCc1ccc(NC(=O)C(N)C(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-4-5-11-6-8-12(9-7-11)16-14(17)13(15)10(2)3/h6-10,13H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyOCHGDLHVMWXKFP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds5

About 2-amino-3-methyl-N-(4-propylphenyl)butanamide

2-amino-3-methyl-N-(4-propylphenyl)butanamide (PubChem CID 43378687) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(4-propylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(4-propylphenyl)butanamide
PubChem CID43378687
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-3-methyl-N-(4-propylphenyl)butanamide
SMILESCCCc1ccc(NC(=O)C(N)C(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-4-5-11-6-8-12(9-7-11)16-14(17)13(15)10(2)3/h6-10,13H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyOCHGDLHVMWXKFP-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
CID 79011565
2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide
CID 177180405
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
3-methyl-2-[(4-propylphenyl)carbamoyl]butanoic acid
CID 115186130
(3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 70668692
(2S,3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 45483299
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
2-amino-3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119277422

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(4-propylphenyl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(4-propylphenyl)butanamide (CID 43378687) is 2-amino-3-methyl-N-(4-propylphenyl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(4-propylphenyl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(4-propylphenyl)butanamide is CCCc1ccc(NC(=O)C(N)C(C)C)cc1.
What is the InChIKey of 2-amino-3-methyl-N-(4-propylphenyl)butanamide?
The InChIKey is OCHGDLHVMWXKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-11-6-8-12(9-7-11)16-14(17)13(15)10(2)3/h6-10,13H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-3-methyl-N-(4-propylphenyl)butanamide?
2-amino-3-methyl-N-(4-propylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(4-propylphenyl)butanamide is sourced from PubChem (CID 43378687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).