2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone

C15H21NO2 — CID 114747793

IUPAC2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
SMILESCCC(C)NCC(=O)c1cccc2c1OCCC2
InChIInChI=1S/C15H21NO2/c1-3-11(2)16-10-14(17)13-8-4-6-12-7-5-9-18-15(12)13/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3
InChIKeyLCZVAVJHLFRAKH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.58
Rot. Bonds5

About 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone

2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone (PubChem CID 114747793) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
PubChem CID114747793
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
SMILESCCC(C)NCC(=O)c1cccc2c1OCCC2
InChIInChI=1S/C15H21NO2/c1-3-11(2)16-10-14(17)13-8-4-6-12-7-5-9-18-15(12)13/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3
InChIKeyLCZVAVJHLFRAKH-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
CID 114748089
1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone
CID 114747975
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
CID 105133620
1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114747898
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
CID 114744040
(E)-1-(3,4-dihydro-2H-chromen-8-yl)pent-2-en-1-one
CID 103454118
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one
CID 103447275
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747936

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone (CID 114747793) is 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone is CCC(C)NCC(=O)c1cccc2c1OCCC2.
What is the InChIKey of 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone?
The InChIKey is LCZVAVJHLFRAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-11(2)16-10-14(17)13-8-4-6-12-7-5-9-18-15(12)13/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone?
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone is sourced from PubChem (CID 114747793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).