prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate

C13H16N2O4 — CID 108571704

IUPACprop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C13H16N2O4/c1-2-9-19-13(18)15-8-7-14-12(17)10-5-3-4-6-11(10)16/h2-6,16H,1,7-9H2,(H,14,17)(H,15,18)
InChIKeyLFLUXHGONICOIP-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.03
Rot. Bonds6

About prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate

prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate (PubChem CID 108571704) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
PubChem CID108571704
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Nameprop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C13H16N2O4/c1-2-9-19-13(18)15-8-7-14-12(17)10-5-3-4-6-11(10)16/h2-6,16H,1,7-9H2,(H,14,17)(H,15,18)
InChIKeyLFLUXHGONICOIP-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573667
2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 108571703
prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 108574875
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate
CID 108570849
prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate
CID 108571431
2-[2-(prop-2-enoxycarbonylamino)ethoxy]benzoic acid
CID 166000723
prop-2-enyl N-[2-(pyridine-3-carbonylamino)ethyl]carbamate
CID 108570449
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2-[(2-hydroxybenzoyl)amino]ethyl nitrate
CID 23176246

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate (CID 108571704) is prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate is C=CCOC(=O)NCCNC(=O)c1ccccc1O.
What is the InChIKey of prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate?
The InChIKey is LFLUXHGONICOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-2-9-19-13(18)15-8-7-14-12(17)10-5-3-4-6-11(10)16/h2-6,16H,1,7-9H2,(H,14,17)(H,15,18).
What are the key properties of prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate?
prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate has a molecular weight of 264.28 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 108571704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).