N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide

C25H27NO2 — CID 3584771

IUPACN-(1-adamantylmethyl)-9H-xanthene-9-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H27NO2/c27-24(26-15-25-12-16-9-17(13-25)11-18(10-16)14-25)23-19-5-1-3-7-21(19)28-22-8-4-2-6-20(22)23/h1-8,16-18,23H,9-15H2,(H,26,27)
InChIKeyNXPWWRWJFAJYOI-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.26
Rot. Bonds3

About N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide

N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide (PubChem CID 3584771) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-9H-xanthene-9-carboxamide
PubChem CID3584771
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC NameN-(1-adamantylmethyl)-9H-xanthene-9-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H27NO2/c27-24(26-15-25-12-16-9-17(13-25)11-18(10-16)14-25)23-19-5-1-3-7-21(19)28-22-8-4-2-6-20(22)23/h1-8,16-18,23H,9-15H2,(H,26,27)
InChIKeyNXPWWRWJFAJYOI-UHFFFAOYSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(1-adamantyl)acetyl]-9H-xanthene-9-carbohydrazide
CID 7917901
N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide
CID 42145603
(15R,16S)-16-(1-adamantylmethylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 10433426
N-(1-adamantylmethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 59658239
N-[[3-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide
CID 90501021
N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 752957
N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide
CID 71787480
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide
CID 56581269
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide
CID 90535464
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide
CID 9049776
N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide
CID 94100172

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide (CID 3584771) is N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide?
The InChIKey is NXPWWRWJFAJYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c27-24(26-15-25-12-16-9-17(13-25)11-18(10-16)14-25)23-19-5-1-3-7-21(19)28-22-8-4-2-6-20(22)23/h1-8,16-18,23H,9-15H2,(H,26,27).
What are the key properties of N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide?
N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 3584771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).