N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide

C23H21NO2 — CID 743802

IUPACN-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C23H21NO2/c1-15(2)16-11-13-17(14-12-16)24-23(25)22-18-7-3-5-9-20(18)26-21-10-6-4-8-19(21)22/h3-15,22H,1-2H3,(H,24,25)
InChIKeyZULNCFICSSPEQZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.69
Rot. Bonds3

About N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide

N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide (PubChem CID 743802) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
PubChem CID743802
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC NameN-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C23H21NO2/c1-15(2)16-11-13-17(14-12-16)24-23(25)22-18-7-3-5-9-20(18)26-21-10-6-4-8-19(21)22/h3-15,22H,1-2H3,(H,24,25)
InChIKeyZULNCFICSSPEQZ-UHFFFAOYSA-N
XLogP5.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate
CID 71893111
N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 742969
N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide
CID 46540225
N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-9H-xanthene-9-carboxamide
CID 41213100
N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide
CID 55538263
N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide
CID 2987222
N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide
CID 46568463
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 7716805
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 1246375
ethyl 3-(9H-xanthene-9-carbonylamino)benzoate
CID 1344960
1-propan-2-yl-3-(9H-xanthene-9-carbonylamino)thiourea
CID 165342840

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide (CID 743802) is N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide is CC(C)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide?
The InChIKey is ZULNCFICSSPEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-15(2)16-11-13-17(14-12-16)24-23(25)22-18-7-3-5-9-20(18)26-21-10-6-4-8-19(21)22/h3-15,22H,1-2H3,(H,24,25).
What are the key properties of N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide?
N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 743802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).