(2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide

C16H21NO4 — CID 175727284

IUPAC(2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESC[C@@H]1Cc2ccccc2O[C@@H]1C(=O)NO[C@@H]1CCCCO1
InChIInChI=1S/C16H21NO4/c1-11-10-12-6-2-3-7-13(12)20-15(11)16(18)17-21-14-8-4-5-9-19-14/h2-3,6-7,11,14-15H,4-5,8-10H2,1H3,(H,17,18)/t11-,14-,15+/m1/s1
InChIKeyNRUIUNLUJGWHPI-DFBGVHRSSA-N
MW291.35 g/mol
LogP2.20
Rot. Bonds3

About (2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide

(2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 175727284) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID175727284
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESC[C@@H]1Cc2ccccc2O[C@@H]1C(=O)NO[C@@H]1CCCCO1
InChIInChI=1S/C16H21NO4/c1-11-10-12-6-2-3-7-13(12)20-15(11)16(18)17-21-14-8-4-5-9-19-14/h2-3,6-7,11,14-15H,4-5,8-10H2,1H3,(H,17,18)/t11-,14-,15+/m1/s1
InChIKeyNRUIUNLUJGWHPI-DFBGVHRSSA-N
XLogP2.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea
CID 91649447
(4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide
CID 170777342
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
CID 117061304
1-methyl-1,3-bis(oxan-2-yloxy)urea
CID 19371750
2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene
CID 139962317
1-methyl-3-[(2R)-oxan-2-yl]oxy-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 99718585
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 94824432
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 175727284) is (2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide is C[C@@H]1Cc2ccccc2O[C@@H]1C(=O)NO[C@@H]1CCCCO1.
What is the InChIKey of (2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is NRUIUNLUJGWHPI-DFBGVHRSSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-10-12-6-2-3-7-13(12)20-15(11)16(18)17-21-14-8-4-5-9-19-14/h2-3,6-7,11,14-15H,4-5,8-10H2,1H3,(H,17,18)/t11-,14-,15+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide?
(2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 175727284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).