4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide

C21H26N2O2 — CID 110618310

IUPAC4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide
SMILESCCc1ccc(C)c(NC(=O)CCc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-5-16-7-6-15(2)19(14-16)22-20(24)13-10-17-8-11-18(12-9-17)21(25)23(3)4/h6-9,11-12,14H,5,10,13H2,1-4H3,(H,22,24)
InChIKeyRPULSVGFRNMPQC-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.83
Rot. Bonds6

About 4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide

4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide (PubChem CID 110618310) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide
PubChem CID110618310
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide
SMILESCCc1ccc(C)c(NC(=O)CCc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-5-16-7-6-15(2)19(14-16)22-20(24)13-10-17-8-11-18(12-9-17)21(25)23(3)4/h6-9,11-12,14H,5,10,13H2,1-4H3,(H,22,24)
InChIKeyRPULSVGFRNMPQC-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
CID 110300090
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
3-(3-chloropropanoylamino)-N,N,4-trimethylbenzamide
CID 43698528
methyl 3-[3-(4-chlorophenyl)propanoylamino]-4-methylbenzoate
CID 41498932
4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110299989
3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride
CID 120608927
4-[3-[4-(dimethylcarbamoyl)-2-ethoxyanilino]-3-oxopropyl]benzoic acid
CID 120551346
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084
3-[3-(4-tert-butylphenyl)propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55784548
4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110309561
N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
CID 110300026
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide (CID 110618310) is 4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide is CCc1ccc(C)c(NC(=O)CCc2ccc(C(=O)N(C)C)cc2)c1.
What is the InChIKey of 4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide?
The InChIKey is RPULSVGFRNMPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-16-7-6-15(2)19(14-16)22-20(24)13-10-17-8-11-18(12-9-17)21(25)23(3)4/h6-9,11-12,14H,5,10,13H2,1-4H3,(H,22,24).
What are the key properties of 4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide?
4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 110618310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).