3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide

C21H25N3O7 — CID 30831168

IUPAC3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
SMILESCOCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H25N3O7/c1-28-12-19(26)24-15-7-5-6-14(10-15)23-18(25)11-22-21(27)13-8-16(29-2)20(31-4)17(9-13)30-3/h5-10H,11-12H2,1-4H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyJKWPVKATTKCVPK-UHFFFAOYSA-N
MW431.45 g/mol
LogP1.67
Rot. Bonds10

About 3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide

3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide (PubChem CID 30831168) has the molecular formula C21H25N3O7 and a molecular weight of 431.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
PubChem CID30831168
Molecular FormulaC21H25N3O7
Molecular Weight431.45 g/mol
Exact Mass431.17
IUPAC Name3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
SMILESCOCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H25N3O7/c1-28-12-19(26)24-15-7-5-6-14(10-15)23-18(25)11-22-21(27)13-8-16(29-2)20(31-4)17(9-13)30-3/h5-10H,11-12H2,1-4H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyJKWPVKATTKCVPK-UHFFFAOYSA-N
XLogP1.67
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 17475270
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-[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
N-[2-[4-methoxy-3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 131925236
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
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
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 55320187

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide (CID 30831168) is 3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide is COCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide?
The InChIKey is JKWPVKATTKCVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O7/c1-28-12-19(26)24-15-7-5-6-14(10-15)23-18(25)11-22-21(27)13-8-16(29-2)20(31-4)17(9-13)30-3/h5-10H,11-12H2,1-4H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide?
3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide has a molecular weight of 431.45 g/mol, XLogP of 1.67, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 30831168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).