[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate

C24H19NO3 — CID 1234500

IUPAC[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)Nc1ccc(OC(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C24H19NO3/c26-23(17-11-19-7-3-1-4-8-19)25-21-13-15-22(16-14-21)28-24(27)18-12-20-9-5-2-6-10-20/h1-18H,(H,25,26)
InChIKeyVLIPTTLEOGCATN-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.96
Rot. Bonds6

About [4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate

[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate (PubChem CID 1234500) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is [4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate.

Molecular Properties

Compound Name[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate
PubChem CID1234500
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)Nc1ccc(OC(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C24H19NO3/c26-23(17-11-19-7-3-1-4-8-19)25-21-13-15-22(16-14-21)28-24(27)18-12-20-9-5-2-6-10-20/h1-18H,(H,25,26)
InChIKeyVLIPTTLEOGCATN-UHFFFAOYSA-N
XLogP4.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[4-(prop-2-enoylamino)phenyl] (E)-3-phenylprop-2-enoate
CID 59668526
(E)-N,3-bis(4-methylphenyl)prop-2-enamide;(4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 158955701
[4-(propanoylamino)phenyl] (E)-3-phenylprop-2-enoate
CID 17087246
3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 708108
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate?
The IUPAC name of [4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate (CID 1234500) is [4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate.
What is the SMILES notation for [4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate?
The canonical SMILES for [4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)Nc1ccc(OC(=O)C=Cc2ccccc2)cc1.
What is the InChIKey of [4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate?
The InChIKey is VLIPTTLEOGCATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c26-23(17-11-19-7-3-1-4-8-19)25-21-13-15-22(16-14-21)28-24(27)18-12-20-9-5-2-6-10-20/h1-18H,(H,25,26).
What are the key properties of [4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate?
[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate has a molecular weight of 369.42 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate is sourced from PubChem (CID 1234500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).