N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

C21H25N3O6 — CID 30379109

IUPACN-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C21H25N3O6/c1-24(2)21(27)13-7-6-8-15(9-13)23-18(25)12-22-20(26)14-10-16(28-3)19(30-5)17(11-14)29-4/h6-11H,12H2,1-5H3,(H,22,26)(H,23,25)
InChIKeyXZUKSFMXYQRIOQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP1.78
Rot. Bonds8

About N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 30379109) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID30379109
Molecular FormulaC21H25N3O6
Molecular Weight415.45 g/mol
Exact Mass415.17
IUPAC NameN-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C21H25N3O6/c1-24(2)21(27)13-7-6-8-15(9-13)23-18(25)12-22-20(26)14-10-16(28-3)19(30-5)17(11-14)29-4/h6-11H,12H2,1-5H3,(H,22,26)(H,23,25)
InChIKeyXZUKSFMXYQRIOQ-UHFFFAOYSA-N
XLogP1.78
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 30831168
3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 17475270
3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 26776799
2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide
CID 55863991
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29459517
3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842437
methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate
CID 112999873
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 30379109) is N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc(OC)c1OC.
What is the InChIKey of N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is XZUKSFMXYQRIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6/c1-24(2)21(27)13-7-6-8-15(9-13)23-18(25)12-22-20(26)14-10-16(28-3)19(30-5)17(11-14)29-4/h6-11H,12H2,1-5H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 415.45 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 30379109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).