N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide

C18H17NO3 — CID 9456326

IUPACN-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2=Cc3ccccc3OC2)c1
InChIInChI=1S/C18H17NO3/c1-21-16-7-4-5-13(9-16)11-19-18(20)15-10-14-6-2-3-8-17(14)22-12-15/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyLTKDICQCLLCGLD-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.79
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide

N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide (PubChem CID 9456326) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
PubChem CID9456326
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2=Cc3ccccc3OC2)c1
InChIInChI=1S/C18H17NO3/c1-21-16-7-4-5-13(9-16)11-19-18(20)15-10-14-6-2-3-8-17(14)22-12-15/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyLTKDICQCLLCGLD-UHFFFAOYSA-N
XLogP2.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578403
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide
CID 34778072
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
N-methyl-2H-chromene-3-carboxamide
CID 13029267
6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide
CID 22578485
[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2H-chromene-3-carboxylate
CID 8821553
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
CID 167953925
N-(3-hydroxybutyl)-2H-chromene-3-carboxamide
CID 111429331
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide (CID 9456326) is N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide is COc1cccc(CNC(=O)C2=Cc3ccccc3OC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide?
The InChIKey is LTKDICQCLLCGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-16-7-4-5-13(9-16)11-19-18(20)15-10-14-6-2-3-8-17(14)22-12-15/h2-10H,11-12H2,1H3,(H,19,20).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 9456326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).