3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide

C19H22N2O5 — CID 27166909

IUPAC3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5/c1-12-6-5-7-14(8-12)21-17(22)11-20-19(23)13-9-15(24-2)18(26-4)16(10-13)25-3/h5-10H,11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyOJQCHZUXDCDEHD-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.39
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide

3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide (PubChem CID 27166909) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
PubChem CID27166909
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5/c1-12-6-5-7-14(8-12)21-17(22)11-20-19(23)13-9-15(24-2)18(26-4)16(10-13)25-3/h5-10H,11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyOJQCHZUXDCDEHD-UHFFFAOYSA-N
XLogP2.39
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[(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
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 30379109
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842437
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985955
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

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide (CID 27166909) is 3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide is COc1cc(C(=O)NCC(=O)Nc2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is OJQCHZUXDCDEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12-6-5-7-14(8-12)21-17(22)11-20-19(23)13-9-15(24-2)18(26-4)16(10-13)25-3/h5-10H,11H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 358.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 27166909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).