methyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate

C23H20N2O4 — CID 2132776

IUPACmethyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate
SMILESCOC(=O)/C(=C\c1cccnc1)NC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-28-23(27)21(14-18-8-5-13-24-15-18)25-22(26)19-9-11-20(12-10-19)29-16-17-6-3-2-4-7-17/h2-15H,16H2,1H3,(H,25,26)/b21-14+
InChIKeyDGURMQLBCSTHLH-KGENOOAVSA-N
MW388.42 g/mol
LogP3.60
Rot. Bonds7

About methyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate

methyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate (PubChem CID 2132776) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate
PubChem CID2132776
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namemethyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate
SMILESCOC(=O)/C(=C\c1cccnc1)NC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-28-23(27)21(14-18-8-5-13-24-15-18)25-22(26)19-9-11-20(12-10-19)29-16-17-6-3-2-4-7-17/h2-15H,16H2,1H3,(H,25,26)/b21-14+
InChIKeyDGURMQLBCSTHLH-KGENOOAVSA-N
XLogP3.60
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate?
The IUPAC name of methyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate (CID 2132776) is methyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate.
What is the SMILES notation for methyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate?
The canonical SMILES for methyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate is COC(=O)/C(=C\c1cccnc1)NC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate?
The InChIKey is DGURMQLBCSTHLH-KGENOOAVSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-28-23(27)21(14-18-8-5-13-24-15-18)25-22(26)19-9-11-20(12-10-19)29-16-17-6-3-2-4-7-17/h2-15H,16H2,1H3,(H,25,26)/b21-14+.
What are the key properties of methyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate?
methyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate has a molecular weight of 388.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-[(4-phenylmethoxybenzoyl)amino]-3-pyridin-3-ylprop-2-enoate is sourced from PubChem (CID 2132776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).