2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide

C15H24N2O — CID 113457786

IUPAC2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
SMILESCC(NC(C)C(C)(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H24N2O/c1-11(16-12(2)15(3,4)5)14(18)17-13-9-7-6-8-10-13/h6-12,16H,1-5H3,(H,17,18)
InChIKeyGGDIHYARTYECSG-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.04
Rot. Bonds4

About 2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide

2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide (PubChem CID 113457786) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
PubChem CID113457786
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
SMILESCC(NC(C)C(C)(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H24N2O/c1-11(16-12(2)15(3,4)5)14(18)17-13-9-7-6-8-10-13/h6-12,16H,1-5H3,(H,17,18)
InChIKeyGGDIHYARTYECSG-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide
CID 79248901
2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
CID 43499919
2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide
CID 61219044
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
CID 8645970
2-(pentan-2-ylamino)-N-phenylpropanamide
CID 43083650
2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide
CID 115626999
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
2-(1-cyclohexylethylamino)-N-phenylpropanamide
CID 62407888
2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide
CID 81385584
tert-butyl N-[(1-anilino-1-oxopropan-2-yl)amino]carbamate
CID 22718169
(2R)-2-amino-N-phenylpropanamide
CID 10607114

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide?
The IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide (CID 113457786) is 2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide?
The canonical SMILES for 2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide is CC(NC(C)C(C)(C)C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide?
The InChIKey is GGDIHYARTYECSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(16-12(2)15(3,4)5)14(18)17-13-9-7-6-8-10-13/h6-12,16H,1-5H3,(H,17,18).
What are the key properties of 2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide?
2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide is sourced from PubChem (CID 113457786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).