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

C17H19NO4 — CID 907403

IUPACN-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NC3CCCC3)ccc12
InChIInChI=1S/C17H19NO4/c1-11-8-17(20)22-15-9-13(6-7-14(11)15)21-10-16(19)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,18,19)
InChIKeyXTOJWOBUZUCTGY-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.54
Rot. Bonds4

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

N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 907403) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID907403
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NC3CCCC3)ccc12
InChIInChI=1S/C17H19NO4/c1-11-8-17(20)22-15-9-13(6-7-14(11)15)21-10-16(19)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,18,19)
InChIKeyXTOJWOBUZUCTGY-UHFFFAOYSA-N
XLogP2.54
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
CID 988851
7-[2-(2-Methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 3936970
2H-1-Benzopyran-2-one, 4-methyl-7-(2-(1-piperidinyl)ethoxy)-
CID 915272
2-[(hexylamino)methyl]-3,4-dihydro-2H-chromen-7-ol;oxalic acid
CID 44356121
(2R)-2-[(hexylamino)methyl]-3,4-dihydro-2H-chromen-7-ol;oxalic acid
CID 76325155
7-(2-Oxo-2-pyrrolidin-1-yl-ethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 769357
3,4,8-Trimethyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one
CID 888670
1-(2-((4-ethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)piperidine-4-carboxamide
CID 1768027
1-(2-((2-oxo-4-propyl-2H-chromen-7-yl)oxy)acetyl)piperidine-4-carboxamide
CID 1768451
1-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetyl)piperidine-4-carboxamide
CID 1769385
N-cyclohexyl-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
CID 2090716
2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 2415983

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 907403) is N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)NC3CCCC3)ccc12.
What is the InChIKey of N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is XTOJWOBUZUCTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11-8-17(20)22-15-9-13(6-7-14(11)15)21-10-16(19)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,18,19).
What are the key properties of N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 301.34 g/mol, XLogP of 2.54, 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)oxyacetamide is sourced from PubChem (CID 907403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).