[1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate

C18H21NO4 — CID 3227639

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SMILESCC(OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1
InChIInChI=1S/C18H21NO4/c1-12(17(20)19-15-7-3-4-8-15)23-18(21)14-10-13-6-2-5-9-16(13)22-11-14/h2,5-6,9-10,12,15H,3-4,7-8,11H2,1H3,(H,19,20)
InChIKeyOSCFKQNKZJSGKK-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.45
Rot. Bonds4

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate (PubChem CID 3227639) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
PubChem CID3227639
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SMILESCC(OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1
InChIInChI=1S/C18H21NO4/c1-12(17(20)19-15-7-3-4-8-15)23-18(21)14-10-13-6-2-5-9-16(13)22-11-14/h2,5-6,9-10,12,15H,3-4,7-8,11H2,1H3,(H,19,20)
InChIKeyOSCFKQNKZJSGKK-UHFFFAOYSA-N
XLogP2.45
TPSA64.63 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-oxo-2H-chromene-3-carboxamide
CID 724217
N-cycloheptyl-2-oxo-2H-chromene-3-carboxamide
CID 898402
N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 907403
N-cyclohexyl-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
CID 2090716
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
[2-[Benzyl(methyl)amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2356268
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2401830
[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
CID 2434464
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2475788
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2636785
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
CID 2977623
N-Cyclopentyl-2-(4-methyl-2-oxo-2H-chromen-7-yloxy)-propionamide
CID 3111907

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate (CID 3227639) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate is CC(OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The InChIKey is OSCFKQNKZJSGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12(17(20)19-15-7-3-4-8-15)23-18(21)14-10-13-6-2-5-9-16(13)22-11-14/h2,5-6,9-10,12,15H,3-4,7-8,11H2,1H3,(H,19,20).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 3227639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).