phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate

C23H19NO5 — CID 1184646

IUPACphenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
SMILESCOc1ccc(C=CC(=O)Nc2ccc(C(=O)Oc3ccccc3)c(O)c2)cc1
InChIInChI=1S/C23H19NO5/c1-28-18-11-7-16(8-12-18)9-14-22(26)24-17-10-13-20(21(25)15-17)23(27)29-19-5-3-2-4-6-19/h2-15,25H,1H3,(H,24,26)
InChIKeyCGIHJEDJWZOWFW-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.27
Rot. Bonds6

About phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate

phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate (PubChem CID 1184646) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate.

Molecular Properties

Compound Namephenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
PubChem CID1184646
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Namephenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
SMILESCOc1ccc(C=CC(=O)Nc2ccc(C(=O)Oc3ccccc3)c(O)c2)cc1
InChIInChI=1S/C23H19NO5/c1-28-18-11-7-16(8-12-18)9-14-22(26)24-17-10-13-20(21(25)15-17)23(27)29-19-5-3-2-4-6-19/h2-15,25H,1H3,(H,24,26)
InChIKeyCGIHJEDJWZOWFW-UHFFFAOYSA-N
XLogP4.27
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
(E)-3-(4-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 886765
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
(E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 122192252
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 883171
[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate
CID 1234500
N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide
CID 17233523

Frequently Asked Questions

What is the IUPAC name of phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate?
The IUPAC name of phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate (CID 1184646) is phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate.
What is the SMILES notation for phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate?
The canonical SMILES for phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate is COc1ccc(C=CC(=O)Nc2ccc(C(=O)Oc3ccccc3)c(O)c2)cc1.
What is the InChIKey of phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate?
The InChIKey is CGIHJEDJWZOWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-28-18-11-7-16(8-12-18)9-14-22(26)24-17-10-13-20(21(25)15-17)23(27)29-19-5-3-2-4-6-19/h2-15,25H,1H3,(H,24,26).
What are the key properties of phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate?
phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate has a molecular weight of 389.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-hydroxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate is sourced from PubChem (CID 1184646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).