N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide

C21H17NO3 — CID 669610

IUPACN-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
SMILESCOc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C21H17NO3/c1-24-15-8-6-7-14(13-15)22-21(23)20-16-9-2-4-11-18(16)25-19-12-5-3-10-17(19)20/h2-13,20H,1H3,(H,22,23)
InChIKeyDZLJQHQSFPSRTD-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.57
Rot. Bonds3

About N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide

N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide (PubChem CID 669610) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
PubChem CID669610
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC NameN-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
SMILESCOc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C21H17NO3/c1-24-15-8-6-7-14(13-15)22-21(23)20-16-9-2-4-11-18(16)25-19-12-5-3-10-17(19)20/h2-13,20H,1H3,(H,22,23)
InChIKeyDZLJQHQSFPSRTD-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 40609025
N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide
CID 46568463
methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate
CID 71893111
ethyl 3-(9H-xanthene-9-carbonylamino)benzoate
CID 1344960
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 743802
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 9194243
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261026
1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methoxyphenyl)urea
CID 133204294
(1S,2R,3S,4R)-2-N,3-N-bis(3-methoxyphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 6967054
N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669612

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide (CID 669610) is N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide is COc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide?
The InChIKey is DZLJQHQSFPSRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-24-15-8-6-7-14(13-15)22-21(23)20-16-9-2-4-11-18(16)25-19-12-5-3-10-17(19)20/h2-13,20H,1H3,(H,22,23).
What are the key properties of N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide?
N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 669610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).