N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

C18H21NO4 — CID 3111907

IUPACN-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)NC3CCCC3)ccc12
InChIInChI=1S/C18H21NO4/c1-11-9-17(20)23-16-10-14(7-8-15(11)16)22-12(2)18(21)19-13-5-3-4-6-13/h7-10,12-13H,3-6H2,1-2H3,(H,19,21)
InChIKeyBCFNABBBBALEKJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.93
Rot. Bonds4

About N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (PubChem CID 3111907) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
PubChem CID3111907
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)NC3CCCC3)ccc12
InChIInChI=1S/C18H21NO4/c1-11-9-17(20)23-16-10-14(7-8-15(11)16)22-12(2)18(21)19-13-5-3-4-6-13/h7-10,12-13H,3-6H2,1-2H3,(H,19,21)
InChIKeyBCFNABBBBALEKJ-UHFFFAOYSA-N
XLogP2.93
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (CID 3111907) is N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is Cc1cc(=O)oc2cc(OC(C)C(=O)NC3CCCC3)ccc12.
What is the InChIKey of N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The InChIKey is BCFNABBBBALEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11-9-17(20)23-16-10-14(7-8-15(11)16)22-12(2)18(21)19-13-5-3-4-6-13/h7-10,12-13H,3-6H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide has a molecular weight of 315.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 3111907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).