2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate

C12H16N2O4 — CID 79345340

IUPAC2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate
SMILESCN(C)C(=O)c1cccc(NC(=O)OCCO)c1
InChIInChI=1S/C12H16N2O4/c1-14(2)11(16)9-4-3-5-10(8-9)13-12(17)18-7-6-15/h3-5,8,15H,6-7H2,1-2H3,(H,13,17)
InChIKeyOOUXAWLJEYYFAU-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.93
Rot. Bonds4

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

2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate (PubChem CID 79345340) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate
PubChem CID79345340
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate
SMILESCN(C)C(=O)c1cccc(NC(=O)OCCO)c1
InChIInChI=1S/C12H16N2O4/c1-14(2)11(16)9-4-3-5-10(8-9)13-12(17)18-7-6-15/h3-5,8,15H,6-7H2,1-2H3,(H,13,17)
InChIKeyOOUXAWLJEYYFAU-UHFFFAOYSA-N
XLogP0.93
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-[3-(methylcarbamoyl)phenyl]carbamate
CID 79346068
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
2-hydroxyethyl N-(3-hydroxyphenyl)carbamate
CID 79345264
2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate
CID 79345177
3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide
CID 47201886
3-[bis(2-methoxyethyl)carbamoylamino]-N,N-dimethylbenzamide
CID 48744646
3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
CID 81490003
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115452538
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
CID 115431854
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
CID 119701572
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
3-(butoxycarbonylamino)benzoic acid
CID 70253445

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate (CID 79345340) is 2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate is CN(C)C(=O)c1cccc(NC(=O)OCCO)c1.
What is the InChIKey of 2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate?
The InChIKey is OOUXAWLJEYYFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(2)11(16)9-4-3-5-10(8-9)13-12(17)18-7-6-15/h3-5,8,15H,6-7H2,1-2H3,(H,13,17).
What are the key properties of 2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate?
2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate has a molecular weight of 252.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 79345340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).