3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide

C12H16N2O5 — CID 121012209

IUPAC3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide
SMILESCNC(=O)NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H16N2O5/c1-13-12(16)14-11(15)7-5-8(17-2)10(19-4)9(6-7)18-3/h5-6H,1-4H3,(H2,13,14,15,16)
InChIKeyCQSWOOSOGIIGPQ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.78
Rot. Bonds4

About 3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide

3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide (PubChem CID 121012209) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide
PubChem CID121012209
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide
SMILESCNC(=O)NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H16N2O5/c1-13-12(16)14-11(15)7-5-8(17-2)10(19-4)9(6-7)18-3/h5-6H,1-4H3,(H2,13,14,15,16)
InChIKeyCQSWOOSOGIIGPQ-UHFFFAOYSA-N
XLogP0.78
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
N-(carbamoylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 2796467
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
N-ethenyl-3,4,5-trimethoxybenzamide
CID 102575963
methyl N-(3,4,5-trimethoxybenzoyl)carbamimidothioate
CID 146026326
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
3,4,5-trimethoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 916631
3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide
CID 58506929
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide (CID 121012209) is 3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide is CNC(=O)NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide?
The InChIKey is CQSWOOSOGIIGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-13-12(16)14-11(15)7-5-8(17-2)10(19-4)9(6-7)18-3/h5-6H,1-4H3,(H2,13,14,15,16).
What are the key properties of 3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide?
3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide has a molecular weight of 268.27 g/mol, XLogP of 0.78, 4 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-(methylcarbamoyl)benzamide is sourced from PubChem (CID 121012209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).