3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide

C24H33N3O2 — CID 113134517

IUPAC3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide
SMILESCCN(CC)c1ccc(N(CCC(=O)N(C)Cc2ccccc2)C(C)=O)c(C)c1
InChIInChI=1S/C24H33N3O2/c1-6-26(7-2)22-13-14-23(19(3)17-22)27(20(4)28)16-15-24(29)25(5)18-21-11-9-8-10-12-21/h8-14,17H,6-7,15-16,18H2,1-5H3
InChIKeyIVHTZBABVPDZFK-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.24
Rot. Bonds9

About 3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide

3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide (PubChem CID 113134517) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide
PubChem CID113134517
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide
SMILESCCN(CC)c1ccc(N(CCC(=O)N(C)Cc2ccccc2)C(C)=O)c(C)c1
InChIInChI=1S/C24H33N3O2/c1-6-26(7-2)22-13-14-23(19(3)17-22)27(20(4)28)16-15-24(29)25(5)18-21-11-9-8-10-12-21/h8-14,17H,6-7,15-16,18H2,1-5H3
InChIKeyIVHTZBABVPDZFK-UHFFFAOYSA-N
XLogP4.24
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.24
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

3-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113133420
3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113135516
3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
CID 113129400
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide
CID 113134443
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide
CID 113133000
N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide
CID 113063996
3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide
CID 113124190
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127871
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113180492

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide (CID 113134517) is 3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide is CCN(CC)c1ccc(N(CCC(=O)N(C)Cc2ccccc2)C(C)=O)c(C)c1.
What is the InChIKey of 3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide?
The InChIKey is IVHTZBABVPDZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-6-26(7-2)22-13-14-23(19(3)17-22)27(20(4)28)16-15-24(29)25(5)18-21-11-9-8-10-12-21/h8-14,17H,6-7,15-16,18H2,1-5H3.
What are the key properties of 3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide?
3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide has a molecular weight of 395.55 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 113134517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).