2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone

C20H24N2O2 — CID 82260672

IUPAC2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
SMILESCC(C)N(CC(=O)c1ccc2c(c1)NCCO2)Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(2)22(13-16-6-4-3-5-7-16)14-19(23)17-8-9-20-18(12-17)21-10-11-24-20/h3-9,12,15,21H,10-11,13-14H2,1-2H3
InChIKeyQUTRDSVTPYRNCP-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.58
Rot. Bonds6

About 2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone

2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone (PubChem CID 82260672) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
PubChem CID82260672
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
SMILESCC(C)N(CC(=O)c1ccc2c(c1)NCCO2)Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(2)22(13-16-6-4-3-5-7-16)14-19(23)17-8-9-20-18(12-17)21-10-11-24-20/h3-9,12,15,21H,10-11,13-14H2,1-2H3
InChIKeyQUTRDSVTPYRNCP-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82050770
2-(benzylamino)-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261178
2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260676
2-[bis(2-methoxyethyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 95415184
2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 82261439
4-amino-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-1-one
CID 82341394
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-pyrrolidin-1-ylethanone
CID 82050767
2-[[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1-oxobutan-2-yl]amino]acetic acid
CID 82261282
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 82050758
2-(azepan-1-yl)-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
CID 82260692
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)ethanone
CID 82261181
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one
CID 82261274

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone (CID 82260672) is 2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone is CC(C)N(CC(=O)c1ccc2c(c1)NCCO2)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The InChIKey is QUTRDSVTPYRNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(2)22(13-16-6-4-3-5-7-16)14-19(23)17-8-9-20-18(12-17)21-10-11-24-20/h3-9,12,15,21H,10-11,13-14H2,1-2H3.
What are the key properties of 2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone is sourced from PubChem (CID 82260672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).