1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one

C20H24N2O2 — CID 82261022

IUPAC1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one
SMILESCC(C(=O)c1ccc2c(c1)NCC(C)(C)O2)N(C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14(22(4)16-8-6-5-7-9-16)19(23)15-10-11-18-17(12-15)21-13-20(2,3)24-18/h5-12,14,21H,13H2,1-4H3
InChIKeyIGDRPCLSSNGIGU-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.98
Rot. Bonds4

About 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one

1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one (PubChem CID 82261022) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one
PubChem CID82261022
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one
SMILESCC(C(=O)c1ccc2c(c1)NCC(C)(C)O2)N(C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14(22(4)16-8-6-5-7-9-16)19(23)15-10-11-18-17(12-15)21-13-20(2,3)24-18/h5-12,14,21H,13H2,1-4H3
InChIKeyIGDRPCLSSNGIGU-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82261019
2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82261767
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(3-hydroxypropylamino)propan-1-one
CID 82261755
2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine
CID 83789523
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82260997
(2S)-1-[5-[(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)sulfanyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-hydroxy-2-phenylpropan-1-one
CID 139307090
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone
CID 82261734
2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-carbonitrile
CID 10535622
5-[(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)sulfanyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carbaldehyde
CID 138637458
2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82261747
2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine
CID 114494580
N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82098791

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one?
The IUPAC name of 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one (CID 82261022) is 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one.
What is the SMILES notation for 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one?
The canonical SMILES for 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one is CC(C(=O)c1ccc2c(c1)NCC(C)(C)O2)N(C)c1ccccc1.
What is the InChIKey of 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one?
The InChIKey is IGDRPCLSSNGIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(22(4)16-8-6-5-7-9-16)19(23)15-10-11-18-17(12-15)21-13-20(2,3)24-18/h5-12,14,21H,13H2,1-4H3.
What are the key properties of 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one?
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one is sourced from PubChem (CID 82261022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).