N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

C20H25N3O2 — CID 54830530

IUPACN-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c(C)c1
InChIInChI=1S/C20H25N3O2/c1-13(2)20(25)22-17-8-6-16(7-9-17)21-12-19(24)23-18-10-5-14(3)11-15(18)4/h5-11,13,21H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyQEKYJMDCDGTADO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.95
Rot. Bonds6

About N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54830530) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
PubChem CID54830530
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c(C)c1
InChIInChI=1S/C20H25N3O2/c1-13(2)20(25)22-17-8-6-16(7-9-17)21-12-19(24)23-18-10-5-14(3)11-15(18)4/h5-11,13,21H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyQEKYJMDCDGTADO-UHFFFAOYSA-N
XLogP3.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide
CID 7636771
2-methyl-N-[4-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54830533
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830564
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9084001
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 99147022
2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 9101796

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (CID 54830530) is N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is Cc1ccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c(C)c1.
What is the InChIKey of N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is QEKYJMDCDGTADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)20(25)22-17-8-6-16(7-9-17)21-12-19(24)23-18-10-5-14(3)11-15(18)4/h5-11,13,21H,12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54830530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).