prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate

C14H19NO4 — CID 21337195

IUPACprop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate
SMILESC=CCOC(=O)N(C)OCc1ccc(OCC)cc1
InChIInChI=1S/C14H19NO4/c1-4-10-18-14(16)15(3)19-11-12-6-8-13(9-7-12)17-5-2/h4,6-9H,1,5,10-11H2,2-3H3
InChIKeyPSGRPDFFBXLVHX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.77
Rot. Bonds7

About prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate

prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate (PubChem CID 21337195) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate
PubChem CID21337195
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameprop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate
SMILESC=CCOC(=O)N(C)OCc1ccc(OCC)cc1
InChIInChI=1S/C14H19NO4/c1-4-10-18-14(16)15(3)19-11-12-6-8-13(9-7-12)17-5-2/h4,6-9H,1,5,10-11H2,2-3H3
InChIKeyPSGRPDFFBXLVHX-UHFFFAOYSA-N
XLogP2.77
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108884391
2-(4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844790
1-[(4-ethoxyphenyl)methyl]-3-prop-2-enylurea
CID 108884465
ethyl N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]carbamate
CID 9167602
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812
(4-ethoxyphenyl)methyl 2-methylbutanoate
CID 146892900
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 60636038
2-chloro-N-[(4-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366818
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate?
The IUPAC name of prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate (CID 21337195) is prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate.
What is the SMILES notation for prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate?
The canonical SMILES for prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate is C=CCOC(=O)N(C)OCc1ccc(OCC)cc1.
What is the InChIKey of prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate?
The InChIKey is PSGRPDFFBXLVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-10-18-14(16)15(3)19-11-12-6-8-13(9-7-12)17-5-2/h4,6-9H,1,5,10-11H2,2-3H3.
What are the key properties of prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate?
prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate has a molecular weight of 265.31 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(4-ethoxyphenyl)methoxy]-N-methylcarbamate is sourced from PubChem (CID 21337195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).