3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide

C24H33N3O2 — CID 113125142

IUPAC3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(C(C)=O)c2cccc(C)c2C)c(C)c1
InChIInChI=1S/C24H33N3O2/c1-7-26(8-2)21-12-13-22(18(4)16-21)25-24(29)14-15-27(20(6)28)23-11-9-10-17(3)19(23)5/h9-13,16H,7-8,14-15H2,1-6H3,(H,25,29)
InChIKeyIVDZUCACHSSSEI-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.84
Rot. Bonds8

About 3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide

3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide (PubChem CID 113125142) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
PubChem CID113125142
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(C(C)=O)c2cccc(C)c2C)c(C)c1
InChIInChI=1S/C24H33N3O2/c1-7-26(8-2)21-12-13-22(18(4)16-21)25-24(29)14-15-27(20(6)28)23-11-9-10-17(3)19(23)5/h9-13,16H,7-8,14-15H2,1-6H3,(H,25,29)
InChIKeyIVDZUCACHSSSEI-UHFFFAOYSA-N
XLogP4.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113128858
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113125073
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113125081
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127609
3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
CID 109036004
3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113125150
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113116691
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113120329

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide (CID 113125142) is 3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCN(C(C)=O)c2cccc(C)c2C)c(C)c1.
What is the InChIKey of 3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The InChIKey is IVDZUCACHSSSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-7-26(8-2)21-12-13-22(18(4)16-21)25-24(29)14-15-27(20(6)28)23-11-9-10-17(3)19(23)5/h9-13,16H,7-8,14-15H2,1-6H3,(H,25,29).
What are the key properties of 3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide?
3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide has a molecular weight of 395.55 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide is sourced from PubChem (CID 113125142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).