N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide

C22H19NO3 — CID 669611

IUPACN-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
SMILESCOc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C22H19NO3/c1-25-16-12-10-15(11-13-16)14-23-22(24)21-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)21/h2-13,21H,14H2,1H3,(H,23,24)
InChIKeyWKOAORLEDJJCNV-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.25
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide

N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide (PubChem CID 669611) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
PubChem CID669611
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
SMILESCOc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C22H19NO3/c1-25-16-12-10-15(11-13-16)14-23-22(24)21-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)21/h2-13,21H,14H2,1H3,(H,23,24)
InChIKeyWKOAORLEDJJCNV-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-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 7921022
N-[[3-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669612
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-9H-xanthene-9-carboxamide
CID 16799207
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 9193847
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide
CID 9049776
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 55781233
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 4835102
N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 8911207
(2R,3R)-N-benzyl-3-(4-methoxyphenyl)oxirane-2-carboxamide
CID 135481416
N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide
CID 90501021

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide (CID 669611) is N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide is COc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide?
The InChIKey is WKOAORLEDJJCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-25-16-12-10-15(11-13-16)14-23-22(24)21-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)21/h2-13,21H,14H2,1H3,(H,23,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide?
N-[(4-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-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 669611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).