2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate

C13H19NO5 — CID 79346244

IUPAC2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
SMILESCOc1cccc(CN(C)C(=O)OCCO)c1OC
InChIInChI=1S/C13H19NO5/c1-14(13(16)19-8-7-15)9-10-5-4-6-11(17-2)12(10)18-3/h4-6,15H,7-9H2,1-3H3
InChIKeyOEQABNZFLSMZNH-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.26
Rot. Bonds6

About 2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate

2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate (PubChem CID 79346244) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
PubChem CID79346244
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
SMILESCOc1cccc(CN(C)C(=O)OCCO)c1OC
InChIInChI=1S/C13H19NO5/c1-14(13(16)19-8-7-15)9-10-5-4-6-11(17-2)12(10)18-3/h4-6,15H,7-9H2,1-3H3
InChIKeyOEQABNZFLSMZNH-UHFFFAOYSA-N
XLogP1.26
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 62856311
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate?
The IUPAC name of 2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate (CID 79346244) is 2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate is COc1cccc(CN(C)C(=O)OCCO)c1OC.
What is the InChIKey of 2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate?
The InChIKey is OEQABNZFLSMZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-14(13(16)19-8-7-15)9-10-5-4-6-11(17-2)12(10)18-3/h4-6,15H,7-9H2,1-3H3.
What are the key properties of 2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate?
2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate has a molecular weight of 269.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 79346244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).