N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

C25H25NO4 — CID 22553660

IUPACN-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
SMILESCOc1ccc(CNC(=O)c2oc3ccc4c(c3c2C)C=CC2(CCCC2)O4)cc1
InChIInChI=1S/C25H25NO4/c1-16-22-19-11-14-25(12-3-4-13-25)30-20(19)9-10-21(22)29-23(16)24(27)26-15-17-5-7-18(28-2)8-6-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,26,27)
InChIKeyYUUMBWPPDHHPDX-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.40
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide (PubChem CID 22553660) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
PubChem CID22553660
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
SMILESCOc1ccc(CNC(=O)c2oc3ccc4c(c3c2C)C=CC2(CCCC2)O4)cc1
InChIInChI=1S/C25H25NO4/c1-16-22-19-11-14-25(12-3-4-13-25)30-20(19)9-10-21(22)29-23(16)24(27)26-15-17-5-7-18(28-2)8-6-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,26,27)
InChIKeyYUUMBWPPDHHPDX-UHFFFAOYSA-N
XLogP5.40
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide (CID 22553660) is N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide is COc1ccc(CNC(=O)c2oc3ccc4c(c3c2C)C=CC2(CCCC2)O4)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide?
The InChIKey is YUUMBWPPDHHPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-16-22-19-11-14-25(12-3-4-13-25)30-20(19)9-10-21(22)29-23(16)24(27)26-15-17-5-7-18(28-2)8-6-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,26,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide?
N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1'-methylspiro[cyclopentane-1,7'-furo[3,2-f]chromene]-2'-carboxamide is sourced from PubChem (CID 22553660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).