N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide

C19H21NO4 — CID 90501021

IUPACN-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide
SMILESCOCC(C)(O)CNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H21NO4/c1-19(22,12-23-2)11-20-18(21)17-13-7-3-5-9-15(13)24-16-10-6-4-8-14(16)17/h3-10,17,22H,11-12H2,1-2H3,(H,20,21)
InChIKeyQVXJAGBCXRQAJV-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.44
Rot. Bonds5

About N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide

N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide (PubChem CID 90501021) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide
PubChem CID90501021
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide
SMILESCOCC(C)(O)CNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H21NO4/c1-19(22,12-23-2)11-20-18(21)17-13-7-3-5-9-15(13)24-16-10-6-4-8-14(16)17/h3-10,17,22H,11-12H2,1-2H3,(H,20,21)
InChIKeyQVXJAGBCXRQAJV-UHFFFAOYSA-N
XLogP2.44
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide
CID 121085722
N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 9246931
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide
CID 90535464
N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669612
N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669611
methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate
CID 71893111
N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 8911207
N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 7921022
N-[[3-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide
CID 3584771
3-methyl-4-(9H-xanthene-9-carbonylamino)butanoic acid
CID 120537025
N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide
CID 95368900

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide (CID 90501021) is N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide is COCC(C)(O)CNC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide?
The InChIKey is QVXJAGBCXRQAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-19(22,12-23-2)11-20-18(21)17-13-7-3-5-9-15(13)24-16-10-6-4-8-14(16)17/h3-10,17,22H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide?
N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 90501021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).