2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate

C12H16N2O4 — CID 79346622

IUPAC2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
SMILESCNC(=O)c1cccc(NC(=O)OCCO)c1C
InChIInChI=1S/C12H16N2O4/c1-8-9(11(16)13-2)4-3-5-10(8)14-12(17)18-7-6-15/h3-5,15H,6-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyXSNXWZIKLHPIQB-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.90
Rot. Bonds4

About 2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate

2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate (PubChem CID 79346622) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
PubChem CID79346622
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
SMILESCNC(=O)c1cccc(NC(=O)OCCO)c1C
InChIInChI=1S/C12H16N2O4/c1-8-9(11(16)13-2)4-3-5-10(8)14-12(17)18-7-6-15/h3-5,15H,6-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyXSNXWZIKLHPIQB-UHFFFAOYSA-N
XLogP0.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-(2,3-dimethylphenyl)carbamate
CID 79345225
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 61329614
methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
CID 60731584
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,2-dimethylbenzamide
CID 115431926
3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid
CID 60940913
2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate
CID 79346430
2-hydroxyethyl N-[3-(methylcarbamoyl)phenyl]carbamate
CID 79346068
3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide
CID 62835659

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate (CID 79346622) is 2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate is CNC(=O)c1cccc(NC(=O)OCCO)c1C.
What is the InChIKey of 2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate?
The InChIKey is XSNXWZIKLHPIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-9(11(16)13-2)4-3-5-10(8)14-12(17)18-7-6-15/h3-5,15H,6-7H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate?
2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate has a molecular weight of 252.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 79346622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).