2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate

C13H16N2O4 — CID 79345304

IUPAC2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate
SMILESC=CCNC(=O)c1ccc(NC(=O)OCCO)cc1
InChIInChI=1S/C13H16N2O4/c1-2-7-14-12(17)10-3-5-11(6-4-10)15-13(18)19-9-8-16/h2-6,16H,1,7-9H2,(H,14,17)(H,15,18)
InChIKeyNYEKCHMBUGCDDZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.14
Rot. Bonds6

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

2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate (PubChem CID 79345304) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate
PubChem CID79345304
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate
SMILESC=CCNC(=O)c1ccc(NC(=O)OCCO)cc1
InChIInChI=1S/C13H16N2O4/c1-2-7-14-12(17)10-3-5-11(6-4-10)15-13(18)19-9-8-16/h2-6,16H,1,7-9H2,(H,14,17)(H,15,18)
InChIKeyNYEKCHMBUGCDDZ-UHFFFAOYSA-N
XLogP1.14
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate
CID 79346016
2-hydroxyethyl N-[4-(methylcarbamoyl)phenyl]carbamate
CID 79345758
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274
4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
CID 61267193
4-formamido-N-prop-2-enylbenzamide
CID 64992358
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175
N-prop-2-enyl-4-(sulfamoylamino)benzamide
CID 112573721
N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 62726927
4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide
CID 61062671

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate (CID 79345304) is 2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate is C=CCNC(=O)c1ccc(NC(=O)OCCO)cc1.
What is the InChIKey of 2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate?
The InChIKey is NYEKCHMBUGCDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-2-7-14-12(17)10-3-5-11(6-4-10)15-13(18)19-9-8-16/h2-6,16H,1,7-9H2,(H,14,17)(H,15,18).
What are the key properties of 2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate?
2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate has a molecular weight of 264.28 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 79345304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).