2-methyl-2-(3-methylanilino)-4-phenylbutanamide

C18H22N2O — CID 61005082

IUPAC2-methyl-2-(3-methylanilino)-4-phenylbutanamide
SMILESCc1cccc(NC(C)(CCc2ccccc2)C(N)=O)c1
InChIInChI=1S/C18H22N2O/c1-14-7-6-10-16(13-14)20-18(2,17(19)21)12-11-15-8-4-3-5-9-15/h3-10,13,20H,11-12H2,1-2H3,(H2,19,21)
InChIKeyBQLXOEXEGBXCQB-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.28
Rot. Bonds6

About 2-methyl-2-(3-methylanilino)-4-phenylbutanamide

2-methyl-2-(3-methylanilino)-4-phenylbutanamide (PubChem CID 61005082) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-2-(3-methylanilino)-4-phenylbutanamide.

Molecular Properties

Compound Name2-methyl-2-(3-methylanilino)-4-phenylbutanamide
PubChem CID61005082
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-methyl-2-(3-methylanilino)-4-phenylbutanamide
SMILESCc1cccc(NC(C)(CCc2ccccc2)C(N)=O)c1
InChIInChI=1S/C18H22N2O/c1-14-7-6-10-16(13-14)20-18(2,17(19)21)12-11-15-8-4-3-5-9-15/h3-10,13,20H,11-12H2,1-2H3,(H2,19,21)
InChIKeyBQLXOEXEGBXCQB-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol
CID 61047781
2-anilino-2-methyl-3-phenylpropanamide
CID 55151227
2-methyl-2-(3-methylanilino)nonanoic acid
CID 60994073
2-methyl-2-(3-methylanilino)-3-(1-pyridin-2-ylcyclohexyl)propanamide
CID 154361288
2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide
CID 54908231
methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate
CID 62535893
methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
CID 60994642
(2R)-2-amino-2-methyl-3-(3-methylphenyl)propanamide
CID 101024424
2,2-dimethyl-4-(3-methylphenyl)butanoic acid
CID 69050886
2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid
CID 60994633
methyl 2-methyl-2-(3-methylanilino)octanoate
CID 63524625
methyl 6,6,6-trifluoro-2-methyl-2-(3-methylanilino)hexanoate
CID 116535546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylanilino)-4-phenylbutanamide?
The IUPAC name of 2-methyl-2-(3-methylanilino)-4-phenylbutanamide (CID 61005082) is 2-methyl-2-(3-methylanilino)-4-phenylbutanamide.
What is the SMILES notation for 2-methyl-2-(3-methylanilino)-4-phenylbutanamide?
The canonical SMILES for 2-methyl-2-(3-methylanilino)-4-phenylbutanamide is Cc1cccc(NC(C)(CCc2ccccc2)C(N)=O)c1.
What is the InChIKey of 2-methyl-2-(3-methylanilino)-4-phenylbutanamide?
The InChIKey is BQLXOEXEGBXCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-7-6-10-16(13-14)20-18(2,17(19)21)12-11-15-8-4-3-5-9-15/h3-10,13,20H,11-12H2,1-2H3,(H2,19,21).
What are the key properties of 2-methyl-2-(3-methylanilino)-4-phenylbutanamide?
2-methyl-2-(3-methylanilino)-4-phenylbutanamide has a molecular weight of 282.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylanilino)-4-phenylbutanamide is sourced from PubChem (CID 61005082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).