2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate

C12H16N2O4 — CID 79346307

IUPAC2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
SMILESCCC(=O)Nc1ccc(NC(=O)OCCO)cc1
InChIInChI=1S/C12H16N2O4/c1-2-11(16)13-9-3-5-10(6-4-9)14-12(17)18-8-7-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyJEDICFKXOTWWDE-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.58
Rot. Bonds5

About 2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate

2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate (PubChem CID 79346307) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
PubChem CID79346307
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
SMILESCCC(=O)Nc1ccc(NC(=O)OCCO)cc1
InChIInChI=1S/C12H16N2O4/c1-2-11(16)13-9-3-5-10(6-4-9)14-12(17)18-8-7-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyJEDICFKXOTWWDE-UHFFFAOYSA-N
XLogP1.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-(4-propoxyphenyl)carbamate
CID 79348792
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274
2-hydroxyethyl N-[4-(methylcarbamoyl)phenyl]carbamate
CID 79345758
2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 170966813
2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate
CID 79346617
2-hydroxyethyl N-(4-cyanophenyl)carbamate
CID 79345947
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
2-hydroxyethyl N-[4-(sulfamoylmethyl)phenyl]carbamate
CID 79345608
2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate
CID 79346016
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate (CID 79346307) is 2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate is CCC(=O)Nc1ccc(NC(=O)OCCO)cc1.
What is the InChIKey of 2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate?
The InChIKey is JEDICFKXOTWWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-11(16)13-9-3-5-10(6-4-9)14-12(17)18-8-7-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate?
2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate has a molecular weight of 252.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate is sourced from PubChem (CID 79346307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).