ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate

C18H17NO3 — CID 11289421

IUPACethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate
SMILESCCOC(=O)NC(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-2-22-18(21)19-17(20)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,19,20,21)/b16-13-
InChIKeyMLCGRJPUSBOEDW-SSZFMOIBSA-N
MW295.34 g/mol
LogP3.50
Rot. Bonds4

About ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate

ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate (PubChem CID 11289421) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate
PubChem CID11289421
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate
SMILESCCOC(=O)NC(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-2-22-18(21)19-17(20)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,19,20,21)/b16-13-
InChIKeyMLCGRJPUSBOEDW-SSZFMOIBSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate
CID 4270908
ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
CID 19165915
ethyl (2E,4Z)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienoate
CID 72736843
ethyl 5-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-1-methylpyrazole-4-carboxylate
CID 108761554
(E)-N-(2-ethoxyphenyl)-2,3-diphenylprop-2-enamide
CID 6522812
(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
ethyl 4-carbamoyl-5-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-2-methylfuran-3-carboxylate
CID 108757090
methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate
CID 102534464
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
propyl 4-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
CID 6380758
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate?
The IUPAC name of ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate (CID 11289421) is ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate.
What is the SMILES notation for ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate?
The canonical SMILES for ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate is CCOC(=O)NC(=O)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate?
The InChIKey is MLCGRJPUSBOEDW-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-22-18(21)19-17(20)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,19,20,21)/b16-13-.
What are the key properties of ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate?
ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate has a molecular weight of 295.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate is sourced from PubChem (CID 11289421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).