methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate

C18H20N2O5 — CID 47057996

IUPACmethyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2cccc(OC)c2OC)cc1
InChIInChI=1S/C18H20N2O5/c1-23-15-6-4-5-14(16(15)24-2)17(21)19-11-12-7-9-13(10-8-12)20-18(22)25-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyMZGGTEMDAXLNJI-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.81
Rot. Bonds6

About methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate

methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate (PubChem CID 47057996) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate
PubChem CID47057996
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2cccc(OC)c2OC)cc1
InChIInChI=1S/C18H20N2O5/c1-23-15-6-4-5-14(16(15)24-2)17(21)19-11-12-7-9-13(10-8-12)20-18(22)25-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyMZGGTEMDAXLNJI-UHFFFAOYSA-N
XLogP2.81
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide
CID 121020532
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
4-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247051
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide
CID 55797093
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
N-[(E)-4-chlorobut-2-enyl]-2,3-dimethoxybenzamide
CID 81431110
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate (CID 47057996) is methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2cccc(OC)c2OC)cc1.
What is the InChIKey of methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate?
The InChIKey is MZGGTEMDAXLNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-15-6-4-5-14(16(15)24-2)17(21)19-11-12-7-9-13(10-8-12)20-18(22)25-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate?
methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate has a molecular weight of 344.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 47057996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).