2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide

C24H33N3O2 — CID 113180492

IUPAC2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)N(CC)c2cccc(C)c2)C(C)=O)c(C)c1
InChIInChI=1S/C24H33N3O2/c1-7-25(8-2)21-13-14-23(19(5)16-21)27(20(6)28)17-24(29)26(9-3)22-12-10-11-18(4)15-22/h10-16H,7-9,17H2,1-6H3
InChIKeyWJPNDYOEFZUNGR-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.56
Rot. Bonds8

About 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide

2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 113180492) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID113180492
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)N(CC)c2cccc(C)c2)C(C)=O)c(C)c1
InChIInChI=1S/C24H33N3O2/c1-7-25(8-2)21-13-14-23(19(5)16-21)27(20(6)28)17-24(29)26(9-3)22-12-10-11-18(4)15-22/h10-16H,7-9,17H2,1-6H3
InChIKeyWJPNDYOEFZUNGR-UHFFFAOYSA-N
XLogP4.56
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.56
H-Bond Donors ≤ 50
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

2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113171988
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
2-(N-acetyl-3,4-dichloroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113179532
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113172485
methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176496
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide
CID 113180493
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
2-[acetyl(cyclohexyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113159596
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
CID 113180480
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide (CID 113180492) is 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(CC)c1ccc(N(CC(=O)N(CC)c2cccc(C)c2)C(C)=O)c(C)c1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is WJPNDYOEFZUNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-7-25(8-2)21-13-14-23(19(5)16-21)27(20(6)28)17-24(29)26(9-3)22-12-10-11-18(4)15-22/h10-16H,7-9,17H2,1-6H3.
What are the key properties of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 395.55 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113180492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).