prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate

C18H19NO4 — CID 67919517

IUPACprop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
SMILESC=CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-2-13-22-18(20)19-12-14-21-15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h2-11H,1,12-14H2,(H,19,20)
InChIKeyRGGIQKMLXVCMKE-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.77
Rot. Bonds8

About prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate

prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate (PubChem CID 67919517) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
PubChem CID67919517
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameprop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
SMILESC=CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-2-13-22-18(20)19-12-14-21-15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h2-11H,1,12-14H2,(H,19,20)
InChIKeyRGGIQKMLXVCMKE-UHFFFAOYSA-N
XLogP3.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
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-(3-phenoxypropanoylamino)ethyl]carbamate
CID 108573558
methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
CID 142063187
2-[2-(prop-2-enoxycarbonylamino)ethoxy]benzoic acid
CID 166000723
2-(4-phenoxyphenoxy)ethylcarbamothioic S-acid
CID 88759016
2-(4-phenoxyphenoxy)ethyl but-3-enoate
CID 54166268
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid
CID 22160443
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
5-phenoxy-2-(prop-2-enoxycarbonylamino)benzoic acid
CID 167736844
ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate
CID 101239228
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
(2S)-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]-2-(prop-2-enoxycarbonylamino)propanoic acid
CID 171776922

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate (CID 67919517) is prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate is C=CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate?
The InChIKey is RGGIQKMLXVCMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-13-22-18(20)19-12-14-21-15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h2-11H,1,12-14H2,(H,19,20).
What are the key properties of prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate?
prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate has a molecular weight of 313.35 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate is sourced from PubChem (CID 67919517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).