N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide

C21H26N2O4 — CID 113061310

IUPACN-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
SMILESCOc1ccc(N(CCNC(=O)c2ccc(C)c(C)c2)C(C)=O)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14-6-7-17(12-15(14)2)21(25)22-10-11-23(16(3)24)18-8-9-19(26-4)20(13-18)27-5/h6-9,12-13H,10-11H2,1-5H3,(H,22,25)
InChIKeyHENRVAHZAKMYGV-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.10
Rot. Bonds7

About N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide

N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide (PubChem CID 113061310) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
PubChem CID113061310
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
SMILESCOc1ccc(N(CCNC(=O)c2ccc(C)c(C)c2)C(C)=O)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14-6-7-17(12-15(14)2)21(25)22-10-11-23(16(3)24)18-8-9-19(26-4)20(13-18)27-5/h6-9,12-13H,10-11H2,1-5H3,(H,22,25)
InChIKeyHENRVAHZAKMYGV-UHFFFAOYSA-N
XLogP3.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113064623
N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide
CID 113057996
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
tert-butyl N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]carbamate
CID 113061339
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113059429
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059990
methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113062034
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113052128

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide (CID 113061310) is N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide is COc1ccc(N(CCNC(=O)c2ccc(C)c(C)c2)C(C)=O)cc1OC.
What is the InChIKey of N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide?
The InChIKey is HENRVAHZAKMYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-6-7-17(12-15(14)2)21(25)22-10-11-23(16(3)24)18-8-9-19(26-4)20(13-18)27-5/h6-9,12-13H,10-11H2,1-5H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide?
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113061310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).