N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide

C20H26N2O — CID 109035429

IUPACN-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide
SMILESCc1ccc(NC(=O)CCNc2ccccc2C(C)C)cc1C
InChIInChI=1S/C20H26N2O/c1-14(2)18-7-5-6-8-19(18)21-12-11-20(23)22-17-10-9-15(3)16(4)13-17/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,23)
InChIKeyGINVOYXGSPMMLG-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.87
Rot. Bonds6

About N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide

N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide (PubChem CID 109035429) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide
PubChem CID109035429
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide
SMILESCc1ccc(NC(=O)CCNc2ccccc2C(C)C)cc1C
InChIInChI=1S/C20H26N2O/c1-14(2)18-7-5-6-8-19(18)21-12-11-20(23)22-17-10-9-15(3)16(4)13-17/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,23)
InChIKeyGINVOYXGSPMMLG-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

N-(3,4-dimethylphenyl)-3-(2-methylanilino)propanamide
CID 109034069
N-(3,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035425
3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035478
3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109035686
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109036765
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
N-(3-bromo-4-methylphenyl)-3-(2-methylanilino)propanamide
CID 109034087
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537
N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982
3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide (CID 109035429) is N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide is Cc1ccc(NC(=O)CCNc2ccccc2C(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide?
The InChIKey is GINVOYXGSPMMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14(2)18-7-5-6-8-19(18)21-12-11-20(23)22-17-10-9-15(3)16(4)13-17/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide?
N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)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 N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide is sourced from PubChem (CID 109035429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).