N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide

C16H19NO3 — CID 22578405

IUPACN-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NC1CCCC1)=C2
InChIInChI=1S/C16H19NO3/c1-19-14-8-4-5-11-9-12(10-20-15(11)14)16(18)17-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyNKUMKNAGCJBXRX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.53
Rot. Bonds3

About N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide

N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide (PubChem CID 22578405) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
PubChem CID22578405
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NC1CCCC1)=C2
InChIInChI=1S/C16H19NO3/c1-19-14-8-4-5-11-9-12(10-20-15(11)14)16(18)17-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyNKUMKNAGCJBXRX-UHFFFAOYSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide
CID 120601576
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113812
8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide
CID 119533955
N-cyclohexyl-2H-chromene-3-carboxamide
CID 9043314
N-cyclooctyl-2H-chromene-3-carboxamide
CID 22578430
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370
N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119569054
2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 119217095
N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119565259
(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365618

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide (CID 22578405) is N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)NC1CCCC1)=C2.
What is the InChIKey of N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide?
The InChIKey is NKUMKNAGCJBXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-14-8-4-5-11-9-12(10-20-15(11)14)16(18)17-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10H2,1H3,(H,17,18).
What are the key properties of N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide?
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).