(7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

C23H29NO4 — CID 124771937

IUPAC(7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCC[C@]1(C)CC(=O)c2c(ccc3oc(C(=O)N[C@H]4CCCC[C@H]4C)c(C)c23)O1
InChIInChI=1S/C23H29NO4/c1-5-23(4)12-16(25)20-18(28-23)11-10-17-19(20)14(3)21(27-17)22(26)24-15-9-7-6-8-13(15)2/h10-11,13,15H,5-9,12H2,1-4H3,(H,24,26)/t13-,15+,23-/m1/s1
InChIKeyIMJYUAWITJKEPD-PUYAPDRXSA-N
MW383.49 g/mol
LogP5.18
Rot. Bonds3

About (7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

(7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (PubChem CID 124771937) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is (7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound Name(7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
PubChem CID124771937
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name(7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCC[C@]1(C)CC(=O)c2c(ccc3oc(C(=O)N[C@H]4CCCC[C@H]4C)c(C)c23)O1
InChIInChI=1S/C23H29NO4/c1-5-23(4)12-16(25)20-18(28-23)11-10-17-19(20)14(3)21(27-17)22(26)24-15-9-7-6-8-13(15)2/h10-11,13,15H,5-9,12H2,1-4H3,(H,24,26)/t13-,15+,23-/m1/s1
InChIKeyIMJYUAWITJKEPD-PUYAPDRXSA-N
XLogP5.18
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The IUPAC name of (7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (CID 124771937) is (7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for (7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The canonical SMILES for (7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is CC[C@]1(C)CC(=O)c2c(ccc3oc(C(=O)N[C@H]4CCCC[C@H]4C)c(C)c23)O1.
What is the InChIKey of (7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The InChIKey is IMJYUAWITJKEPD-PUYAPDRXSA-N. The full InChI is InChI=1S/C23H29NO4/c1-5-23(4)12-16(25)20-18(28-23)11-10-17-19(20)14(3)21(27-17)22(26)24-15-9-7-6-8-13(15)2/h10-11,13,15H,5-9,12H2,1-4H3,(H,24,26)/t13-,15+,23-/m1/s1.
What are the key properties of (7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
(7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 124771937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).