methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate

C18H17NO3 — CID 71127944

IUPACmethyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate
SMILESCOC(=O)/C=C(/c1ccccc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-19(18(21)15-11-7-4-8-12-15)16(13-17(20)22-2)14-9-5-3-6-10-14/h3-13H,1-2H3/b16-13-
InChIKeyZNUHWIMTDZJMJP-SSZFMOIBSA-N
MW295.34 g/mol
LogP2.97
Rot. Bonds4

About methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate

methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate (PubChem CID 71127944) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate
PubChem CID71127944
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate
SMILESCOC(=O)/C=C(/c1ccccc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-19(18(21)15-11-7-4-8-12-15)16(13-17(20)22-2)14-9-5-3-6-10-14/h3-13H,1-2H3/b16-13-
InChIKeyZNUHWIMTDZJMJP-SSZFMOIBSA-N
XLogP2.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate?
The IUPAC name of methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate (CID 71127944) is methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate is COC(=O)/C=C(/c1ccccc1)N(C)C(=O)c1ccccc1.
What is the InChIKey of methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate?
The InChIKey is ZNUHWIMTDZJMJP-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H17NO3/c1-19(18(21)15-11-7-4-8-12-15)16(13-17(20)22-2)14-9-5-3-6-10-14/h3-13H,1-2H3/b16-13-.
What are the key properties of methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate?
methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate has a molecular weight of 295.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate is sourced from PubChem (CID 71127944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).