2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide

C20H25NO5 — CID 100531207

IUPAC2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cccc(OC)c2OC)ccc1OC(C)C
InChIInChI=1S/C20H25NO5/c1-13(2)26-16-10-9-14(11-18(16)24-4)12-21-20(22)15-7-6-8-17(23-3)19(15)25-5/h6-11,13H,12H2,1-5H3,(H,21,22)
InChIKeyCFIDVQIBGITMJJ-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.43
Rot. Bonds8

About 2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide

2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 100531207) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID100531207
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cccc(OC)c2OC)ccc1OC(C)C
InChIInChI=1S/C20H25NO5/c1-13(2)26-16-10-9-14(11-18(16)24-4)12-21-20(22)15-7-6-8-17(23-3)19(15)25-5/h6-11,13H,12H2,1-5H3,(H,21,22)
InChIKeyCFIDVQIBGITMJJ-UHFFFAOYSA-N
XLogP3.43
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94019866
methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate
CID 47057996
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
CID 45490502
2-(2-ethylphenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46763837
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
CID 92532211
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide (CID 100531207) is 2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2cccc(OC)c2OC)ccc1OC(C)C.
What is the InChIKey of 2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is CFIDVQIBGITMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-13(2)26-16-10-9-14(11-18(16)24-4)12-21-20(22)15-7-6-8-17(23-3)19(15)25-5/h6-11,13H,12H2,1-5H3,(H,21,22).
What are the key properties of 2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide?
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 359.42 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 100531207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).