ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate

C19H19NO4 — CID 87710214

IUPACethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccccc1C(=O)NOCc1ccccc1
InChIInChI=1S/C19H19NO4/c1-2-23-18(21)13-12-16-10-6-7-11-17(16)19(22)20-24-14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,20,22)
InChIKeyXZBYDDBDEAIOSD-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.12
Rot. Bonds7

About ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate

ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate (PubChem CID 87710214) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate
PubChem CID87710214
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccccc1C(=O)NOCc1ccccc1
InChIInChI=1S/C19H19NO4/c1-2-23-18(21)13-12-16-10-6-7-11-17(16)19(22)20-24-14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,20,22)
InChIKeyXZBYDDBDEAIOSD-UHFFFAOYSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl (E)-3-(2-methylphenyl)prop-2-enoate
CID 16742105
(E)-3-(2-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
CID 9227551
2-amino-3-(3-ethoxy-3-oxoprop-1-enyl)benzoic acid
CID 169480669
ethyl 3-[2-(3-methylbenzoyl)phenyl]prop-2-enoate
CID 68696894
ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate
CID 134890301
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
butyl (E)-3-[2-(phenylcarbamoyl)phenyl]prop-2-enoate
CID 135014575
benzyl (E)-3-(2-diethoxyphosphoryl-3-methylphenyl)prop-2-enoate
CID 72702720
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
2-[[2-(3-methoxy-3-oxoprop-1-enyl)benzoyl]amino]acetic acid
CID 169479829

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate (CID 87710214) is ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccccc1C(=O)NOCc1ccccc1.
What is the InChIKey of ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate?
The InChIKey is XZBYDDBDEAIOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-23-18(21)13-12-16-10-6-7-11-17(16)19(22)20-24-14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,20,22).
What are the key properties of ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate?
ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate has a molecular weight of 325.36 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(phenylmethoxycarbamoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 87710214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).