4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide

C15H24N2O — CID 80543602

IUPAC4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
SMILESCC(CCc1ccccc1)NC(=O)C(C)CCN
InChIInChI=1S/C15H24N2O/c1-12(10-11-16)15(18)17-13(2)8-9-14-6-4-3-5-7-14/h3-7,12-13H,8-11,16H2,1-2H3,(H,17,18)
InChIKeyIUDOFDIEVWGMRH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds7

About 4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide

4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide (PubChem CID 80543602) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
PubChem CID80543602
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
SMILESCC(CCc1ccccc1)NC(=O)C(C)CCN
InChIInChI=1S/C15H24N2O/c1-12(10-11-16)15(18)17-13(2)8-9-14-6-4-3-5-7-14/h3-7,12-13H,8-11,16H2,1-2H3,(H,17,18)
InChIKeyIUDOFDIEVWGMRH-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
4-amino-2-methyl-N-(2-methyl-1-phenylpropyl)butanamide
CID 80543438
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
CID 55104650
(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 51660002
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide (CID 80543602) is 4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide is CC(CCc1ccccc1)NC(=O)C(C)CCN.
What is the InChIKey of 4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide?
The InChIKey is IUDOFDIEVWGMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(10-11-16)15(18)17-13(2)8-9-14-6-4-3-5-7-14/h3-7,12-13H,8-11,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide?
4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide is sourced from PubChem (CID 80543602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).