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

C13H18N2O4 — CID 79345177

IUPAC2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate
SMILESCC(=O)N(C)Cc1cccc(NC(=O)OCCO)c1
InChIInChI=1S/C13H18N2O4/c1-10(17)15(2)9-11-4-3-5-12(8-11)14-13(18)19-7-6-16/h3-5,8,16H,6-7,9H2,1-2H3,(H,14,18)
InChIKeyJXOYLWJNAWTRBE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.21
Rot. Bonds5

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

2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate (PubChem CID 79345177) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate
PubChem CID79345177
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate
SMILESCC(=O)N(C)Cc1cccc(NC(=O)OCCO)c1
InChIInChI=1S/C13H18N2O4/c1-10(17)15(2)9-11-4-3-5-12(8-11)14-13(18)19-7-6-16/h3-5,8,16H,6-7,9H2,1-2H3,(H,14,18)
InChIKeyJXOYLWJNAWTRBE-UHFFFAOYSA-N
XLogP1.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate
CID 79345340
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide
CID 51089316
2-hydroxyethyl N-(3-hydroxyphenyl)carbamate
CID 79345264
2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 79345593
5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
CID 60941960
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-bromo-3-methylbutanamide
CID 43699889
2-hydroxyethyl N-[3-(methylcarbamoyl)phenyl]carbamate
CID 79346068
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide
CID 43699890
N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide
CID 47202792
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 38585679

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate (CID 79345177) is 2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate is CC(=O)N(C)Cc1cccc(NC(=O)OCCO)c1.
What is the InChIKey of 2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate?
The InChIKey is JXOYLWJNAWTRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10(17)15(2)9-11-4-3-5-12(8-11)14-13(18)19-7-6-16/h3-5,8,16H,6-7,9H2,1-2H3,(H,14,18).
What are the key properties of 2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate?
2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 79345177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).