N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide

C20H18N2O3 — CID 18090143

IUPACN-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H18N2O3/c1-2-11-21-20(24)16-8-4-5-9-17(16)22-19(23)15-12-14-7-3-6-10-18(14)25-13-15/h2-10,12H,1,11,13H2,(H,21,24)(H,22,23)
InChIKeyFCBIGCJPFVETJO-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide

N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide (PubChem CID 18090143) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
PubChem CID18090143
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H18N2O3/c1-2-11-21-20(24)16-8-4-5-9-17(16)22-19(23)15-12-14-7-3-6-10-18(14)25-13-15/h2-10,12H,1,11,13H2,(H,21,24)(H,22,23)
InChIKeyFCBIGCJPFVETJO-UHFFFAOYSA-N
XLogP3.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide (CID 18090143) is N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide?
The InChIKey is FCBIGCJPFVETJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-11-21-20(24)16-8-4-5-9-17(16)22-19(23)15-12-14-7-3-6-10-18(14)25-13-15/h2-10,12H,1,11,13H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide?
N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 18090143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).