3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide

C20H26N2O — CID 109035686

IUPAC3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1cc(C)cc(NCCC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C20H26N2O/c1-14(2)18-7-5-6-8-19(18)22-20(23)9-10-21-17-12-15(3)11-16(4)13-17/h5-8,11-14,21H,9-10H2,1-4H3,(H,22,23)
InChIKeyIAGODRZCLJFGJZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.87
Rot. Bonds6

About 3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide

3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 109035686) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID109035686
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1cc(C)cc(NCCC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C20H26N2O/c1-14(2)18-7-5-6-8-19(18)22-20(23)9-10-21-17-12-15(3)11-16(4)13-17/h5-8,11-14,21H,9-10H2,1-4H3,(H,22,23)
InChIKeyIAGODRZCLJFGJZ-UHFFFAOYSA-N
XLogP4.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109036765
N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035689
3-(2,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109036753
N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide
CID 109035429
3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109035687
3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 109019653
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
CID 26584984
3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109032020
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035743

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide (CID 109035686) is 3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide is Cc1cc(C)cc(NCCC(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is IAGODRZCLJFGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14(2)18-7-5-6-8-19(18)22-20(23)9-10-21-17-12-15(3)11-16(4)13-17/h5-8,11-14,21H,9-10H2,1-4H3,(H,22,23).
What are the key properties of 3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide?
3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109035686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).