8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide

C19H23NO4 — CID 72715369

IUPAC8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide
SMILESCCCCOc1cccc2cc(C(=O)NC3CCCC3)c(=O)oc12
InChIInChI=1S/C19H23NO4/c1-2-3-11-23-16-10-6-7-13-12-15(19(22)24-17(13)16)18(21)20-14-8-4-5-9-14/h6-7,10,12,14H,2-5,8-9,11H2,1H3,(H,20,21)
InChIKeyUDOGQHXIXUMLJP-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.64
Rot. Bonds6

About 8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide

8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide (PubChem CID 72715369) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide
PubChem CID72715369
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide
SMILESCCCCOc1cccc2cc(C(=O)NC3CCCC3)c(=O)oc12
InChIInChI=1S/C19H23NO4/c1-2-3-11-23-16-10-6-7-13-12-15(19(22)24-17(13)16)18(21)20-14-8-4-5-9-14/h6-7,10,12,14H,2-5,8-9,11H2,1H3,(H,20,21)
InChIKeyUDOGQHXIXUMLJP-UHFFFAOYSA-N
XLogP3.64
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide?
The IUPAC name of 8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide (CID 72715369) is 8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide is CCCCOc1cccc2cc(C(=O)NC3CCCC3)c(=O)oc12.
What is the InChIKey of 8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide?
The InChIKey is UDOGQHXIXUMLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-2-3-11-23-16-10-6-7-13-12-15(19(22)24-17(13)16)18(21)20-14-8-4-5-9-14/h6-7,10,12,14H,2-5,8-9,11H2,1H3,(H,20,21).
What are the key properties of 8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide?
8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butoxy-N-cyclopentyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 72715369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).