2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide

C15H24N2O — CID 60647573

IUPAC2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide
SMILESCCC(C)(C)NC(C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H24N2O/c1-6-15(4,5)17-12(3)14(18)16-13-9-7-11(2)8-10-13/h7-10,12,17H,6H2,1-5H3,(H,16,18)
InChIKeyPDSWAJLHHQDROG-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.10
Rot. Bonds5

About 2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide

2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide (PubChem CID 60647573) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide
PubChem CID60647573
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide
SMILESCCC(C)(C)NC(C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H24N2O/c1-6-15(4,5)17-12(3)14(18)16-13-9-7-11(2)8-10-13/h7-10,12,17H,6H2,1-5H3,(H,16,18)
InChIKeyPDSWAJLHHQDROG-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
2-(diethylamino)-N-(4-methylphenyl)propanamide
CID 24843836
2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane
CID 177324466
ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443102
ethyl-[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443104
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 120667626
N-tert-butyl-2-(2-methylbutan-2-ylamino)propanamide
CID 43087431
tert-butyl N-[[1-(4-methylanilino)-1-oxopropan-2-yl]amino]carbamate
CID 134508363
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
2-(cyclopropylamino)-N-(4-methylphenyl)propanamide
CID 60638669
2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide
CID 103734805

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide (CID 60647573) is 2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide is CCC(C)(C)NC(C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide?
The InChIKey is PDSWAJLHHQDROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-15(4,5)17-12(3)14(18)16-13-9-7-11(2)8-10-13/h7-10,12,17H,6H2,1-5H3,(H,16,18).
What are the key properties of 2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide?
2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide has a molecular weight of 248.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 60647573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).