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

C20H23N3O6 — CID 27259117

IUPACN-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O6/c1-12(24)22-14-6-5-7-15(10-14)23-18(25)11-21-20(26)13-8-16(27-2)19(29-4)17(9-13)28-3/h5-10H,11H2,1-4H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyTUUBEJBLBWHEJR-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.04
Rot. Bonds8

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

N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 27259117) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID27259117
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC NameN-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O6/c1-12(24)22-14-6-5-7-15(10-14)23-18(25)11-21-20(26)13-8-16(27-2)19(29-4)17(9-13)28-3/h5-10H,11H2,1-4H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyTUUBEJBLBWHEJR-UHFFFAOYSA-N
XLogP2.04
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 30831168
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 30379109
3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 26776799
3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 17475270
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842437
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112996998
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 27259117) is N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1OC.
What is the InChIKey of N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is TUUBEJBLBWHEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-12(24)22-14-6-5-7-15(10-14)23-18(25)11-21-20(26)13-8-16(27-2)19(29-4)17(9-13)28-3/h5-10H,11H2,1-4H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 401.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 27259117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).