3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C22H26N2O6 — CID 9169667

IUPAC3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1OC
InChIInChI=1S/C22H26N2O6/c1-27-18-8-4-3-7-17(18)24-21(25)14-30-19-10-9-15(12-20(19)28-2)22(26)23-13-16-6-5-11-29-16/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeySDQWQEVOHVOHDJ-INIZCTEOSA-N
MW414.46 g/mol
LogP2.63
Rot. Bonds9

About 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 9169667) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID9169667
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1OC
InChIInChI=1S/C22H26N2O6/c1-27-18-8-4-3-7-17(18)24-21(25)14-30-19-10-9-15(12-20(19)28-2)22(26)23-13-16-6-5-11-29-16/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeySDQWQEVOHVOHDJ-INIZCTEOSA-N
XLogP2.63
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17361745
3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 18160322
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 51148171
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
2-[(2-naphthalen-1-yloxyacetyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361740
3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 154921066
3,4-dimethoxy-N-[N-(2-methoxyphenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]benzamide
CID 94089938
1-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2910234

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 9169667) is 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is COc1ccccc1NC(=O)COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1OC.
What is the InChIKey of 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is SDQWQEVOHVOHDJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-27-18-8-4-3-7-17(18)24-21(25)14-30-19-10-9-15(12-20(19)28-2)22(26)23-13-16-6-5-11-29-16/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1.
What are the key properties of 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 414.46 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 9169667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).