2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone

C20H24N2O2 — CID 82261882

IUPAC2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
SMILESCCC(C)NCC(=O)c1ccc2c(c1)NCC(c1ccccc1)O2
InChIInChI=1S/C20H24N2O2/c1-3-14(2)21-12-18(23)16-9-10-19-17(11-16)22-13-20(24-19)15-7-5-4-6-8-15/h4-11,14,20-22H,3,12-13H2,1-2H3
InChIKeyHRIRZFUPKJDUJJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.80
Rot. Bonds6

About 2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone

2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone (PubChem CID 82261882) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
PubChem CID82261882
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
SMILESCCC(C)NCC(=O)c1ccc2c(c1)NCC(c1ccccc1)O2
InChIInChI=1S/C20H24N2O2/c1-3-14(2)21-12-18(23)16-9-10-19-17(11-16)22-13-20(24-19)15-7-5-4-6-8-15/h4-11,14,20-22H,3,12-13H2,1-2H3
InChIKeyHRIRZFUPKJDUJJ-UHFFFAOYSA-N
XLogP3.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone with MolForge

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Related Compounds

Azd-9977
CID 118599727
2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide
CID 135567452
2-(2-Methoxyanilino)-3-piperidin-1-ylnaphthalene-1,4-dione
CID 1388836
6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one
CID 135567449
4-Cyanomethyl-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid phenylamide
CID 1442281
N-[4-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
CID 1617297
4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-(2-ethoxyphenyl)benzamide
CID 2273251
N-{2-[2-(4-methoxyphenyl)-2-oxoethoxy]-5-methylphenyl}acetamide
CID 2728500
4-sec-butoxy-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 2940925
4-Cyanomethyl-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid cyclohexylamide
CID 3222914
2,2-Dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-yl-ethyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid isopropylamide
CID 3223043
2-Methyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3227578

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone (CID 82261882) is 2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone is CCC(C)NCC(=O)c1ccc2c(c1)NCC(c1ccccc1)O2.
What is the InChIKey of 2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The InChIKey is HRIRZFUPKJDUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-14(2)21-12-18(23)16-9-10-19-17(11-16)22-13-20(24-19)15-7-5-4-6-8-15/h4-11,14,20-22H,3,12-13H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone is sourced from PubChem (CID 82261882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).