4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide

C19H22N2O6 — CID 9082611

IUPAC4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(OCC(N)=O)c(OC)c2)cc1OC
InChIInChI=1S/C19H22N2O6/c1-24-14-6-4-12(8-16(14)25-2)10-21-19(23)13-5-7-15(17(9-13)26-3)27-11-18(20)22/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyOKKMYQGZXHPKBG-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.51
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide (PubChem CID 9082611) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
PubChem CID9082611
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(OCC(N)=O)c(OC)c2)cc1OC
InChIInChI=1S/C19H22N2O6/c1-24-14-6-4-12(8-16(14)25-2)10-21-19(23)13-5-7-15(17(9-13)26-3)27-11-18(20)22/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyOKKMYQGZXHPKBG-UHFFFAOYSA-N
XLogP1.51
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
CID 56809138
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-(benzimidazol-1-yl)benzamide
CID 55866271
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
CID 119734347
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide
CID 60518362
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide (CID 9082611) is 4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide is COc1ccc(CNC(=O)c2ccc(OCC(N)=O)c(OC)c2)cc1OC.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide?
The InChIKey is OKKMYQGZXHPKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-24-14-6-4-12(8-16(14)25-2)10-21-19(23)13-5-7-15(17(9-13)26-3)27-11-18(20)22/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide has a molecular weight of 374.39 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 9082611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).