prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate

C19H17NO4 — CID 2836676

IUPACprop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate
SMILESC=CCOC(=O)C(=Cc1ccc(O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-2-12-24-19(23)17(13-14-8-10-16(21)11-9-14)20-18(22)15-6-4-3-5-7-15/h2-11,13,21H,1,12H2,(H,20,22)
InChIKeyOQDHWIJOQJREJX-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.89
Rot. Bonds6

About prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate

prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 2836676) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID2836676
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameprop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate
SMILESC=CCOC(=O)C(=Cc1ccc(O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-2-12-24-19(23)17(13-14-8-10-16(21)11-9-14)20-18(22)15-6-4-3-5-7-15/h2-11,13,21H,1,12H2,(H,20,22)
InChIKeyOQDHWIJOQJREJX-UHFFFAOYSA-N
XLogP2.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 6244466
prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate
CID 2247969
N-[3-(butylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3633246
2-[2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]oxyethyl-dimethylazanium
CID 4652414
prop-2-enyl (Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoate
CID 11016405
N-[1-(4-hydroxyphenyl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 3972655
ethyl 2-benzamido-4-methylpent-2-enoate
CID 174918416
2-hydroxyethyl 2-benzamido-3-[4-(2-bromophenoxy)phenyl]prop-2-enoate
CID 76823920
2-hydroxypropyl (Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate
CID 18552542
propan-2-yl 2-benzamido-3-pyridin-4-ylprop-2-enoate
CID 3102816
prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 2939714
2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid
CID 4768649

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate (CID 2836676) is prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate is C=CCOC(=O)C(=Cc1ccc(O)cc1)NC(=O)c1ccccc1.
What is the InChIKey of prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is OQDHWIJOQJREJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-12-24-19(23)17(13-14-8-10-16(21)11-9-14)20-18(22)15-6-4-3-5-7-15/h2-11,13,21H,1,12H2,(H,20,22).
What are the key properties of prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate?
prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 323.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 2836676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).