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

C20H25NO4 — CID 3227645

IUPAC[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate
SMILESCC(C)C(OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1
InChIInChI=1S/C20H25NO4/c1-13(2)18(19(22)21-16-8-4-5-9-16)25-20(23)15-11-14-7-3-6-10-17(14)24-12-15/h3,6-7,10-11,13,16,18H,4-5,8-9,12H2,1-2H3,(H,21,22)
InChIKeyFUGOKKXRXWUQCT-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.09
Rot. Bonds5

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

[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate (PubChem CID 3227645) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate
PubChem CID3227645
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate
SMILESCC(C)C(OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1
InChIInChI=1S/C20H25NO4/c1-13(2)18(19(22)21-16-8-4-5-9-16)25-20(23)15-11-14-7-3-6-10-17(14)24-12-15/h3,6-7,10-11,13,16,18H,4-5,8-9,12H2,1-2H3,(H,21,22)
InChIKeyFUGOKKXRXWUQCT-UHFFFAOYSA-N
XLogP3.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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
[2-(Cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate
CID 4162556
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 4344301
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 4421749
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4877306

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate (CID 3227645) is [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate is CC(C)C(OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate?
The InChIKey is FUGOKKXRXWUQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-13(2)18(19(22)21-16-8-4-5-9-16)25-20(23)15-11-14-7-3-6-10-17(14)24-12-15/h3,6-7,10-11,13,16,18H,4-5,8-9,12H2,1-2H3,(H,21,22).
What are the key properties of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate?
[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate has a molecular weight of 343.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 3227645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).