N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide

C22H19NO3 — CID 669612

IUPACN-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
SMILESCOc1ccccc1CNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H19NO3/c1-25-18-11-5-2-8-15(18)14-23-22(24)21-16-9-3-6-12-19(16)26-20-13-7-4-10-17(20)21/h2-13,21H,14H2,1H3,(H,23,24)
InChIKeyWMVLOKIBGZYEND-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.25
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide

N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide (PubChem CID 669612) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
PubChem CID669612
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
SMILESCOc1ccccc1CNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H19NO3/c1-25-18-11-5-2-8-15(18)14-23-22(24)21-16-9-3-6-12-19(16)26-20-13-7-4-10-17(20)21/h2-13,21H,14H2,1H3,(H,23,24)
InChIKeyWMVLOKIBGZYEND-UHFFFAOYSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 8911207
N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669611
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 58032966
N-[[3-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 55781233
2-(2,3-dihydro-1-benzofuran-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110753758
N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide
CID 90501021
N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 9246931
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-9H-xanthene-9-carboxamide
CID 16799207
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide
CID 141363455
N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide (CID 669612) is N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide is COc1ccccc1CNC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide?
The InChIKey is WMVLOKIBGZYEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-25-18-11-5-2-8-15(18)14-23-22(24)21-16-9-3-6-12-19(16)26-20-13-7-4-10-17(20)21/h2-13,21H,14H2,1H3,(H,23,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide?
N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 669612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).