methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate

C19H19NO4 — CID 85197685

IUPACmethyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate
SMILESCOC(=O)C(NC(=O)c1ccccc1)=C(C)c1ccc(OC)cc1
InChIInChI=1S/C19H19NO4/c1-13(14-9-11-16(23-2)12-10-14)17(19(22)24-3)20-18(21)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,20,21)
InChIKeyRATQANDMVCYBJR-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.03
Rot. Bonds5

About methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate

methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate (PubChem CID 85197685) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate
PubChem CID85197685
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate
SMILESCOC(=O)C(NC(=O)c1ccccc1)=C(C)c1ccc(OC)cc1
InChIInChI=1S/C19H19NO4/c1-13(14-9-11-16(23-2)12-10-14)17(19(22)24-3)20-18(21)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,20,21)
InChIKeyRATQANDMVCYBJR-UHFFFAOYSA-N
XLogP3.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
CID 101149814
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
[(E)-2-benzamido-1-chloro-3-methoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 45136448
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 15417407
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
anisole;methyl 4-methoxybenzoate
CID 158093995
N-carbamothioyl-4-methoxybenzamide
CID 14007083
N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
CID 2288457

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate?
The IUPAC name of methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate (CID 85197685) is methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate.
What is the SMILES notation for methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate?
The canonical SMILES for methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate is COC(=O)C(NC(=O)c1ccccc1)=C(C)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate?
The InChIKey is RATQANDMVCYBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13(14-9-11-16(23-2)12-10-14)17(19(22)24-3)20-18(21)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,20,21).
What are the key properties of methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate?
methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate has a molecular weight of 325.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate is sourced from PubChem (CID 85197685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).