N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide

C22H19NO3 — CID 7921022

IUPACN-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
SMILESCOc1cccc(CNC(=O)C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C22H19NO3/c1-25-16-8-6-7-15(13-16)14-23-22(24)21-17-9-2-4-11-19(17)26-20-12-5-3-10-18(20)21/h2-13,21H,14H2,1H3,(H,23,24)
InChIKeyWPCNXGRWDPZKID-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.25
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide

N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide (PubChem CID 7921022) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
PubChem CID7921022
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
SMILESCOc1cccc(CNC(=O)C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C22H19NO3/c1-25-16-8-6-7-15(13-16)14-23-22(24)21-17-9-2-4-11-19(17)26-20-12-5-3-10-18(20)21/h2-13,21H,14H2,1H3,(H,23,24)
InChIKeyWPCNXGRWDPZKID-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-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669611
N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 9193847
N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669612
3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide
CID 56547257
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-9H-xanthene-9-carboxamide
CID 16799207
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 8911207
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide
CID 9049776
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide (CID 7921022) is N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide is COc1cccc(CNC(=O)C2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide?
The InChIKey is WPCNXGRWDPZKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-25-16-8-6-7-15(13-16)14-23-22(24)21-17-9-2-4-11-19(17)26-20-12-5-3-10-18(20)21/h2-13,21H,14H2,1H3,(H,23,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide?
N-[(3-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-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 7921022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).