(2-carbamoylphenyl) 3-phenylprop-2-enoate

C16H13NO3 — CID 142713579

IUPAC(2-carbamoylphenyl) 3-phenylprop-2-enoate
SMILESNC(=O)c1ccccc1OC(=O)C=Cc1ccccc1
InChIInChI=1S/C16H13NO3/c17-16(19)13-8-4-5-9-14(13)20-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H2,17,19)
InChIKeyMNRXPTJUXNKQSC-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.40
Rot. Bonds4

About (2-carbamoylphenyl) 3-phenylprop-2-enoate

(2-carbamoylphenyl) 3-phenylprop-2-enoate (PubChem CID 142713579) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2-carbamoylphenyl) 3-phenylprop-2-enoate.

Molecular Properties

Compound Name(2-carbamoylphenyl) 3-phenylprop-2-enoate
PubChem CID142713579
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(2-carbamoylphenyl) 3-phenylprop-2-enoate
SMILESNC(=O)c1ccccc1OC(=O)C=Cc1ccccc1
InChIInChI=1S/C16H13NO3/c17-16(19)13-8-4-5-9-14(13)20-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H2,17,19)
InChIKeyMNRXPTJUXNKQSC-UHFFFAOYSA-N
XLogP2.40
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.40
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

methyl 2-[(E)-3-phenylprop-2-enoyl]oxybenzoate
CID 6232774
[2-(morpholine-4-carbothioyl)phenyl] 3-phenylprop-2-enoate
CID 1142404
5-bromo-2-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854493
(2-nitrophenyl) (E)-3-phenylprop-2-enoate
CID 905313
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
naphthalen-1-yl 3-phenylprop-2-enoate
CID 788595
sodium 2-(3-phenylprop-2-enoyloxy)benzenesulfonate
CID 141120826
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
[2-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 72974963
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl) 3-phenylprop-2-enoate?
The IUPAC name of (2-carbamoylphenyl) 3-phenylprop-2-enoate (CID 142713579) is (2-carbamoylphenyl) 3-phenylprop-2-enoate.
What is the SMILES notation for (2-carbamoylphenyl) 3-phenylprop-2-enoate?
The canonical SMILES for (2-carbamoylphenyl) 3-phenylprop-2-enoate is NC(=O)c1ccccc1OC(=O)C=Cc1ccccc1.
What is the InChIKey of (2-carbamoylphenyl) 3-phenylprop-2-enoate?
The InChIKey is MNRXPTJUXNKQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c17-16(19)13-8-4-5-9-14(13)20-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H2,17,19).
What are the key properties of (2-carbamoylphenyl) 3-phenylprop-2-enoate?
(2-carbamoylphenyl) 3-phenylprop-2-enoate has a molecular weight of 267.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl) 3-phenylprop-2-enoate is sourced from PubChem (CID 142713579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).