2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide

Name: 2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₇NO₅ — CID 155563211

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide

SMILESCCCCCN(C)C(=O)COc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2

InChIInChI=1S/C22H27NO5/c1-5-6-7-12-23(4)18(24)14-26-17-13-15-8-9-19(25)27-20(15)16-10-11-22(2,3)28-21(16)17/h8-11,13H,5-7,12,14H2,1-4H3

InChIKeyCIZCLRKDNWAISZ-UHFFFAOYSA-N

MW385.46 g/mol

LogP4.00

Rot. Bonds7

About 2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide

2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide (PubChem CID 155563211) has the molecular formula C₂₂H₂₇NO₅ and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide.

Molecular Properties

Compound Name	2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide
PubChem CID	155563211
Molecular Formula	C₂₂H₂₇NO₅
Molecular Weight	385.46 g/mol
Exact Mass	385.19
IUPAC Name	2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide
SMILES	CCCCCN(C)C(=O)COc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2
InChI	InChI=1S/C22H27NO5/c1-5-6-7-12-23(4)18(24)14-26-17-13-15-8-9-19(25)27-20(15)16-10-11-22(2,3)28-21(16)17/h8-11,13H,5-7,12,14H2,1-4H3
InChIKey	CIZCLRKDNWAISZ-UHFFFAOYSA-N
XLogP	4.00
TPSA	68.98 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.46
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide?

The IUPAC name of 2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide (CID 155563211) is 2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide.

What is the SMILES notation for 2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide?

The canonical SMILES for 2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide is CCCCCN(C)C(=O)COc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2.

What is the InChIKey of 2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide?

The InChIKey is CIZCLRKDNWAISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-5-6-7-12-23(4)18(24)14-26-17-13-15-8-9-19(25)27-20(15)16-10-11-22(2,3)28-21(16)17/h8-11,13H,5-7,12,14H2,1-4H3.

What are the key properties of 2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide?

2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide has a molecular weight of 385.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8,8-dimethyl-2-oxopyrano[2,3-f]chromen-6-yl)oxy-N-methyl-N-pentylacetamide is sourced from PubChem (CID 155563211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155563211 — identifiers, structure, computed properties (public domain)

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