N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide

C19H19NO3 — CID 752957

IUPACN-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H19NO3/c21-19(20-12-13-6-5-11-22-13)18-14-7-1-3-9-16(14)23-17-10-4-2-8-15(17)18/h1-4,7-10,13,18H,5-6,11-12H2,(H,20,21)/t13-/m0/s1
InChIKeyKXIIYHAWLFMQGB-ZDUSSCGKSA-N
MW309.37 g/mol
LogP3.22
Rot. Bonds3

About N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide (PubChem CID 752957) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
PubChem CID752957
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H19NO3/c21-19(20-12-13-6-5-11-22-13)18-14-7-1-3-9-16(14)23-17-10-4-2-8-15(17)18/h1-4,7-10,13,18H,5-6,11-12H2,(H,20,21)/t13-/m0/s1
InChIKeyKXIIYHAWLFMQGB-ZDUSSCGKSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine
CID 43344208
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94026794
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 8511058
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 92662175
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 30705944
(1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide
CID 950605
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
(3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7174786
2-cyclopentyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 4644788
N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide
CID 7324082
(2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61149060

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide (CID 752957) is N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide is O=C(NC[C@@H]1CCCO1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide?
The InChIKey is KXIIYHAWLFMQGB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19NO3/c21-19(20-12-13-6-5-11-22-13)18-14-7-1-3-9-16(14)23-17-10-4-2-8-15(17)18/h1-4,7-10,13,18H,5-6,11-12H2,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 752957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).