(E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide

C19H15NO3 — CID 6057611

IUPAC(E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C19H15NO3/c1-13-6-8-14(9-7-13)10-11-18(21)20-16-12-15-4-2-3-5-17(15)23-19(16)22/h2-12H,1H3,(H,20,21)/b11-10+
InChIKeyMOSWAKFOWBTJCN-ZHACJKMWSA-N
MW305.33 g/mol
LogP3.75
Rot. Bonds3

About (E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide

(E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide (PubChem CID 6057611) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
PubChem CID6057611
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C19H15NO3/c1-13-6-8-14(9-7-13)10-11-18(21)20-16-12-15-4-2-3-5-17(15)23-19(16)22/h2-12H,1H3,(H,20,21)/b11-10+
InChIKeyMOSWAKFOWBTJCN-ZHACJKMWSA-N
XLogP3.75
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methylphenyl)-N-(8-nitro-2-oxochromen-3-yl)prop-2-enamide
CID 71694547
N-(2-oxochromen-3-yl)prop-2-enamide
CID 91937746
3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
CID 5082597
(E)-N-(8-nitro-2-oxochromen-3-yl)-3-phenylprop-2-enamide
CID 6014120
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4689219
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide
CID 9365900
(E)-N-[1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 46612704
N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
CID 35049946

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide (CID 6057611) is (E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cc3ccccc3oc2=O)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide?
The InChIKey is MOSWAKFOWBTJCN-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H15NO3/c1-13-6-8-14(9-7-13)10-11-18(21)20-16-12-15-4-2-3-5-17(15)23-19(16)22/h2-12H,1H3,(H,20,21)/b11-10+.
What are the key properties of (E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide?
(E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide has a molecular weight of 305.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide is sourced from PubChem (CID 6057611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).