N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide

C24H23NO2 — CID 1312260

IUPACN-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H23NO2/c1-15(2)17-12-8-9-16(3)23(17)25-24(26)22-18-10-4-6-13-20(18)27-21-14-7-5-11-19(21)22/h4-15,22H,1-3H3,(H,25,26)
InChIKeyCUTIRTJLYNAXPX-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.99
Rot. Bonds3

About N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide (PubChem CID 1312260) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
PubChem CID1312260
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H23NO2/c1-15(2)17-12-8-9-16(3)23(17)25-24(26)22-18-10-4-6-13-20(18)27-21-14-7-5-11-19(21)22/h4-15,22H,1-3H3,(H,25,26)
InChIKeyCUTIRTJLYNAXPX-UHFFFAOYSA-N
XLogP5.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 742969
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N-[2,6-di(propan-2-yl)phenyl]-2-(9H-xanthen-9-ylsulfanyl)acetamide
CID 19419311
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
CID 22691784
(9S)-1-methyl-4-propan-2-yl-9H-xanthene-9-carboxylic acid
CID 125463675
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
N-(2-methyl-6-propan-2-ylphenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43924779
2,2-dimethyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837081
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149581
2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 5061547

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide (CID 1312260) is N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide is Cc1cccc(C(C)C)c1NC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide?
The InChIKey is CUTIRTJLYNAXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-15(2)17-12-8-9-16(3)23(17)25-24(26)22-18-10-4-6-13-20(18)27-21-14-7-5-11-19(21)22/h4-15,22H,1-3H3,(H,25,26).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 1312260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).