9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide

C20H25NO4 — CID 20887632

IUPAC9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide
SMILESCc1c(C(=O)NC(C)C)oc2ccc3c(c12)C(O)CC1(CCCC1)O3
InChIInChI=1S/C20H25NO4/c1-11(2)21-19(23)18-12(3)16-14(24-18)6-7-15-17(16)13(22)10-20(25-15)8-4-5-9-20/h6-7,11,13,22H,4-5,8-10H2,1-3H3,(H,21,23)
InChIKeyNVZDTUTUDSURIG-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.01
Rot. Bonds2

About 9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide

9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide (PubChem CID 20887632) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide.

Molecular Properties

Compound Name9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide
PubChem CID20887632
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide
SMILESCc1c(C(=O)NC(C)C)oc2ccc3c(c12)C(O)CC1(CCCC1)O3
InChIInChI=1S/C20H25NO4/c1-11(2)21-19(23)18-12(3)16-14(24-18)6-7-15-17(16)13(22)10-20(25-15)8-4-5-9-20/h6-7,11,13,22H,4-5,8-10H2,1-3H3,(H,21,23)
InChIKeyNVZDTUTUDSURIG-UHFFFAOYSA-N
XLogP4.01
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide?
The IUPAC name of 9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide (CID 20887632) is 9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide.
What is the SMILES notation for 9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide?
The canonical SMILES for 9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide is Cc1c(C(=O)NC(C)C)oc2ccc3c(c12)C(O)CC1(CCCC1)O3.
What is the InChIKey of 9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide?
The InChIKey is NVZDTUTUDSURIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-11(2)21-19(23)18-12(3)16-14(24-18)6-7-15-17(16)13(22)10-20(25-15)8-4-5-9-20/h6-7,11,13,22H,4-5,8-10H2,1-3H3,(H,21,23).
What are the key properties of 9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide?
9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide is sourced from PubChem (CID 20887632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).