prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate

C15H20N2O4 — CID 108573558

IUPACprop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-2-11-21-15(19)17-10-9-16-14(18)8-12-20-13-6-4-3-5-7-13/h2-7H,1,8-12H2,(H,16,18)(H,17,19)
InChIKeyAQUSBSVKFDYCFA-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.48
Rot. Bonds9

About prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate

prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate (PubChem CID 108573558) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate
PubChem CID108573558
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameprop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-2-11-21-15(19)17-10-9-16-14(18)8-12-20-13-6-4-3-5-7-13/h2-7H,1,8-12H2,(H,16,18)(H,17,19)
InChIKeyAQUSBSVKFDYCFA-UHFFFAOYSA-N
XLogP1.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
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-(4-phenoxyphenoxy)ethyl]carbamate
CID 67919517
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 155534232
N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide
CID 112990545
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108573551
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate (CID 108573558) is prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate is C=CCOC(=O)NCCNC(=O)CCOc1ccccc1.
What is the InChIKey of prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate?
The InChIKey is AQUSBSVKFDYCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-11-21-15(19)17-10-9-16-14(18)8-12-20-13-6-4-3-5-7-13/h2-7H,1,8-12H2,(H,16,18)(H,17,19).
What are the key properties of prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate?
prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate has a molecular weight of 292.34 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate is sourced from PubChem (CID 108573558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).