(4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate

C17H15NO4 — CID 8803322

IUPAC(4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(/C=C/C(=O)Oc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C17H15NO4/c1-21-15-4-2-3-12(11-15)5-10-16(19)22-14-8-6-13(7-9-14)17(18)20/h2-11H,1H3,(H2,18,20)/b10-5+
InChIKeyMGJGTEPDGZDGKR-BJMVGYQFSA-N
MW297.31 g/mol
LogP2.41
Rot. Bonds5

About (4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate

(4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate (PubChem CID 8803322) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
PubChem CID8803322
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(/C=C/C(=O)Oc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C17H15NO4/c1-21-15-4-2-3-12(11-15)5-10-16(19)22-14-8-6-13(7-9-14)17(18)20/h2-11H,1H3,(H2,18,20)/b10-5+
InChIKeyMGJGTEPDGZDGKR-BJMVGYQFSA-N
XLogP2.41
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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) 3-(3-phenylphenyl)prop-2-enoate
CID 71896123
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
methyl 3-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxybenzoate
CID 7924254
4-[[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxyphenyl]methylideneamino]benzoic acid
CID 164824152
[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
CID 3494985
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride
CID 141059857
N-(diaminomethylidene)-3-(3-methoxyphenyl)prop-2-enamide
CID 69436299
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
(E)-3-(3-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723936
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
(E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 5346015

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate?
The IUPAC name of (4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate (CID 8803322) is (4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate is COc1cccc(/C=C/C(=O)Oc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of (4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate?
The InChIKey is MGJGTEPDGZDGKR-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-15-4-2-3-12(11-15)5-10-16(19)22-14-8-6-13(7-9-14)17(18)20/h2-11H,1H3,(H2,18,20)/b10-5+.
What are the key properties of (4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate?
(4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate has a molecular weight of 297.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 8803322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).