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

C23H21NO2 — CID 742969

IUPACN-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H21NO2/c1-15(2)16-9-3-6-12-19(16)24-23(25)22-17-10-4-7-13-20(17)26-21-14-8-5-11-18(21)22/h3-15,22H,1-2H3,(H,24,25)
InChIKeyQRFNGMMAEQHDLC-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.69
Rot. Bonds3

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

N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide (PubChem CID 742969) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
PubChem CID742969
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC NameN-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H21NO2/c1-15(2)16-9-3-6-12-19(16)24-23(25)22-17-10-4-7-13-20(17)26-21-14-8-5-11-18(21)22/h3-15,22H,1-2H3,(H,24,25)
InChIKeyQRFNGMMAEQHDLC-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

N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 1312260
(3R)-N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724295
2-methyl-1-(9H-xanthen-9-yl)propan-1-one
CID 79299133
N-(4-anilinophenyl)-9H-xanthene-9-carboxamide
CID 4104080
N-[2,6-di(propan-2-yl)phenyl]-2-(9H-xanthen-9-ylsulfanyl)acetamide
CID 19419311
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
1-propan-2-yl-3-(9H-xanthene-9-carbonylamino)thiourea
CID 165342840
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
2-N-phenyl-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140809
2-(9H-xanthene-9-carbonylamino)pentanoic acid
CID 120534631

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide (CID 742969) is N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide is CC(C)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide?
The InChIKey is QRFNGMMAEQHDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-15(2)16-9-3-6-12-19(16)24-23(25)22-17-10-4-7-13-20(17)26-21-14-8-5-11-18(21)22/h3-15,22H,1-2H3,(H,24,25).
What are the key properties of N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide?
N-(2-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-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 742969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).