methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate

C18H17NO4 — CID 57388071

IUPACmethyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate
SMILESCOC(=O)N/C(=C(\C(=O)OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO4/c1-22-17(20)15(13-9-5-3-6-10-13)16(19-18(21)23-2)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,19,21)/b16-15-
InChIKeyDMSWYLWQOXYXPG-NXVVXOECSA-N
MW311.34 g/mol
LogP3.08
Rot. Bonds4

About methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate

methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate (PubChem CID 57388071) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate
PubChem CID57388071
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namemethyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate
SMILESCOC(=O)N/C(=C(\C(=O)OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO4/c1-22-17(20)15(13-9-5-3-6-10-13)16(19-18(21)23-2)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,19,21)/b16-15-
InChIKeyDMSWYLWQOXYXPG-NXVVXOECSA-N
XLogP3.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (E)-3-acetamido-2-(4-methylphenyl)-3-phenylprop-2-enoate
CID 42638338
methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
CID 135740500
methyl N-(N-methoxy-C-phenylcarbonimidoyl)carbamate
CID 135526711
methyl (E)-3-bromo-2-(4-methylphenyl)-3-phenylprop-2-enoate
CID 10735231
methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate
CID 15153385
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
methyl (E)-3-methyl-2,5-diphenylpent-2-enoate
CID 135070973
ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate
CID 101468495
3-methoxy-2,3-diphenylprop-2-enoic acid
CID 69030930
methyl N-(1-phenylbut-1-enyl)carbamate
CID 131886313
methyl 2-amino-4-oxo-4-phenylbut-2-enoate
CID 85280020
[(2-methoxy-2-oxoacetyl)amino] benzoate
CID 152508358

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate?
The IUPAC name of methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate (CID 57388071) is methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate is COC(=O)N/C(=C(\C(=O)OC)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate?
The InChIKey is DMSWYLWQOXYXPG-NXVVXOECSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-17(20)15(13-9-5-3-6-10-13)16(19-18(21)23-2)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,19,21)/b16-15-.
What are the key properties of methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate?
methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate has a molecular weight of 311.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate is sourced from PubChem (CID 57388071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).