8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide

C18H23NO5 — CID 124843907

IUPAC8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NC[C@]1(O)CCO[C@@H]1C)=C2
InChIInChI=1S/C18H23NO5/c1-3-22-15-6-4-5-13-9-14(10-24-16(13)15)17(20)19-11-18(21)7-8-23-12(18)2/h4-6,9,12,21H,3,7-8,10-11H2,1-2H3,(H,19,20)/t12-,18-/m1/s1
InChIKeyFJZDOKPIFPATPJ-KZULUSFZSA-N
MW333.38 g/mol
LogP1.52
Rot. Bonds5

About 8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide

8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide (PubChem CID 124843907) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide
PubChem CID124843907
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NC[C@]1(O)CCO[C@@H]1C)=C2
InChIInChI=1S/C18H23NO5/c1-3-22-15-6-4-5-13-9-14(10-24-16(13)15)17(20)19-11-18(21)7-8-23-12(18)2/h4-6,9,12,21H,3,7-8,10-11H2,1-2H3,(H,19,20)/t12-,18-/m1/s1
InChIKeyFJZDOKPIFPATPJ-KZULUSFZSA-N
XLogP1.52
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 55878636
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 86822503
8-ethoxy-N-[2-(N-methylanilino)propyl]-2H-chromene-3-carboxamide
CID 55718017
N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 51122093
8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide
CID 51127392
8-ethoxy-N-[furan-2-yl(phenyl)methyl]-2H-chromene-3-carboxamide
CID 55759749
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
CID 55759184
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
CID 107301454
N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide
CID 22729212
(8-ethoxy-2H-chromen-3-yl)methanol
CID 103351446

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide (CID 124843907) is 8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide is CCOc1cccc2c1OCC(C(=O)NC[C@]1(O)CCO[C@@H]1C)=C2.
What is the InChIKey of 8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide?
The InChIKey is FJZDOKPIFPATPJ-KZULUSFZSA-N. The full InChI is InChI=1S/C18H23NO5/c1-3-22-15-6-4-5-13-9-14(10-24-16(13)15)17(20)19-11-18(21)7-8-23-12(18)2/h4-6,9,12,21H,3,7-8,10-11H2,1-2H3,(H,19,20)/t12-,18-/m1/s1.
What are the key properties of 8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide?
8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 124843907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).