(4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate

C22H17NO3 — CID 71896123

IUPAC(4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate
SMILESNC(=O)c1ccc(OC(=O)C=Cc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H17NO3/c23-22(25)18-10-12-20(13-11-18)26-21(24)14-9-16-5-4-8-19(15-16)17-6-2-1-3-7-17/h1-15H,(H2,23,25)
InChIKeySZCPZXHVQXOSKC-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.07
Rot. Bonds5

About (4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate

(4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate (PubChem CID 71896123) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is (4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate
PubChem CID71896123
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name(4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate
SMILESNC(=O)c1ccc(OC(=O)C=Cc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H17NO3/c23-22(25)18-10-12-20(13-11-18)26-21(24)14-9-16-5-4-8-19(15-16)17-6-2-1-3-7-17/h1-15H,(H2,23,25)
InChIKeySZCPZXHVQXOSKC-UHFFFAOYSA-N
XLogP4.07
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.07
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-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8803322
[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6124036
(4-carbamimidoylphenyl) (E)-3-phenylprop-2-enoate
CID 6438970
propyl 3-(3-phenylphenyl)prop-2-enoate
CID 135124125
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
(Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide
CID 170877551
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 11161124

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate?
The IUPAC name of (4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate (CID 71896123) is (4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate.
What is the SMILES notation for (4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate?
The canonical SMILES for (4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate is NC(=O)c1ccc(OC(=O)C=Cc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of (4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate?
The InChIKey is SZCPZXHVQXOSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c23-22(25)18-10-12-20(13-11-18)26-21(24)14-9-16-5-4-8-19(15-16)17-6-2-1-3-7-17/h1-15H,(H2,23,25).
What are the key properties of (4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate?
(4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate has a molecular weight of 343.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate is sourced from PubChem (CID 71896123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).