N-(4-methoxyphenyl)-2H-chromene-3-carboxamide

C17H15NO3 — CID 1478845

IUPACN-(4-methoxyphenyl)-2H-chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C17H15NO3/c1-20-15-8-6-14(7-9-15)18-17(19)13-10-12-4-2-3-5-16(12)21-11-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyYRKFTAOXJUOJBI-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.11
Rot. Bonds3

About N-(4-methoxyphenyl)-2H-chromene-3-carboxamide

N-(4-methoxyphenyl)-2H-chromene-3-carboxamide (PubChem CID 1478845) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2H-chromene-3-carboxamide
PubChem CID1478845
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-(4-methoxyphenyl)-2H-chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C17H15NO3/c1-20-15-8-6-14(7-9-15)18-17(19)13-10-12-4-2-3-5-16(12)21-11-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyYRKFTAOXJUOJBI-UHFFFAOYSA-N
XLogP3.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2H-chromene-3-carboxamide (CID 1478845) is N-(4-methoxyphenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2H-chromene-3-carboxamide is COc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2H-chromene-3-carboxamide?
The InChIKey is YRKFTAOXJUOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-15-8-6-14(7-9-15)18-17(19)13-10-12-4-2-3-5-16(12)21-11-13/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-2H-chromene-3-carboxamide?
N-(4-methoxyphenyl)-2H-chromene-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 1478845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).