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

C23H21NO3 — CID 8911207

IUPACN-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H21NO3/c1-26-19-11-5-2-8-16(19)14-15-24-23(25)22-17-9-3-6-12-20(17)27-21-13-7-4-10-18(21)22/h2-13,22H,14-15H2,1H3,(H,24,25)
InChIKeyCXMHIQJBFSKMTG-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.29
Rot. Bonds5

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

N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide (PubChem CID 8911207) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
PubChem CID8911207
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H21NO3/c1-26-19-11-5-2-8-16(19)14-15-24-23(25)22-17-9-3-6-12-20(17)27-21-13-7-4-10-18(21)22/h2-13,22H,14-15H2,1H3,(H,24,25)
InChIKeyCXMHIQJBFSKMTG-UHFFFAOYSA-N
XLogP4.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669612
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 58032966
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669611
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 55781233
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-9H-xanthene-9-carboxamide
CID 16827094
N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide
CID 90501021

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide (CID 8911207) is N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide is COc1ccccc1CCNC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is CXMHIQJBFSKMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-26-19-11-5-2-8-16(19)14-15-24-23(25)22-17-9-3-6-12-20(17)27-21-13-7-4-10-18(21)22/h2-13,22H,14-15H2,1H3,(H,24,25).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 8911207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).