methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate

C11H14N2O5 — CID 134102474

IUPACmethyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate
SMILESCOC(=O)Nc1c(OC)ccc(OC)c1C(N)=O
InChIInChI=1S/C11H14N2O5/c1-16-6-4-5-7(17-2)9(8(6)10(12)14)13-11(15)18-3/h4-5H,1-3H3,(H2,12,14)(H,13,15)
InChIKeyMWPSEUFMICGBGQ-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.98
Rot. Bonds4

About methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate

methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate (PubChem CID 134102474) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate
PubChem CID134102474
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Namemethyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate
SMILESCOC(=O)Nc1c(OC)ccc(OC)c1C(N)=O
InChIInChI=1S/C11H14N2O5/c1-16-6-4-5-7(17-2)9(8(6)10(12)14)13-11(15)18-3/h4-5H,1-3H3,(H2,12,14)(H,13,15)
InChIKeyMWPSEUFMICGBGQ-UHFFFAOYSA-N
XLogP0.98
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxypyridine-4-carboxamide
CID 69277472
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578
4,8-dimethoxynaphthalene-1,5-dicarboxamide
CID 100971321
(3,4-dimethoxyphenyl)urea
CID 21197430
3-cyano-6-methoxy-2-methylbenzamide
CID 171026852
2,4-dimethoxypyridine-3-carboxamide
CID 22356790
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
methyl N-(2,4,5-trimethoxyphenyl)carbamate
CID 115190416
2,6-dimethoxy-3-phenylbenzamide
CID 68897697
methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
tert-butyl N-(6-bromo-3-methoxy-2-methylphenyl)carbamate
CID 156869532
ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate
CID 107469921

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate?
The IUPAC name of methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate (CID 134102474) is methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate.
What is the SMILES notation for methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate?
The canonical SMILES for methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate is COC(=O)Nc1c(OC)ccc(OC)c1C(N)=O.
What is the InChIKey of methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate?
The InChIKey is MWPSEUFMICGBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-16-6-4-5-7(17-2)9(8(6)10(12)14)13-11(15)18-3/h4-5H,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate?
methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate has a molecular weight of 254.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-carbamoyl-3,6-dimethoxyphenyl)carbamate is sourced from PubChem (CID 134102474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).