(4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide

C15H19NO5 — CID 170777342

IUPAC(4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NOC1CCCCO1)C1C[C@@H](O)c2ccccc2O1
InChIInChI=1S/C15H19NO5/c17-11-9-13(20-12-6-2-1-5-10(11)12)15(18)16-21-14-7-3-4-8-19-14/h1-2,5-6,11,13-14,17H,3-4,7-9H2,(H,16,18)/t11-,13?,14?/m1/s1
InChIKeyLKTJRXNWIGPAFP-LMWSTFAQSA-N
MW293.32 g/mol
LogP1.45
Rot. Bonds3

About (4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide

(4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 170777342) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID170777342
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NOC1CCCCO1)C1C[C@@H](O)c2ccccc2O1
InChIInChI=1S/C15H19NO5/c17-11-9-13(20-12-6-2-1-5-10(11)12)15(18)16-21-14-7-3-4-8-19-14/h1-2,5-6,11,13-14,17H,3-4,7-9H2,(H,16,18)/t11-,13?,14?/m1/s1
InChIKeyLKTJRXNWIGPAFP-LMWSTFAQSA-N
XLogP1.45
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 175727284
N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
CID 117061304
1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea
CID 91649447
7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide
CID 163392736
9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate
CID 97106758
trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide
CID 99716407
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide
CID 60613305
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 83235668

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide (CID 170777342) is (4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NOC1CCCCO1)C1C[C@@H](O)c2ccccc2O1.
What is the InChIKey of (4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is LKTJRXNWIGPAFP-LMWSTFAQSA-N. The full InChI is InChI=1S/C15H19NO5/c17-11-9-13(20-12-6-2-1-5-10(11)12)15(18)16-21-14-7-3-4-8-19-14/h1-2,5-6,11,13-14,17H,3-4,7-9H2,(H,16,18)/t11-,13?,14?/m1/s1.
What are the key properties of (4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide?
(4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 170777342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).