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

C19H29N3O2 — CID 82261202

IUPAC1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone
SMILESCC1(C)CC(NCC(=O)c2ccc3c(c2)NCCO3)CC(C)(C)N1
InChIInChI=1S/C19H29N3O2/c1-18(2)10-14(11-19(3,4)22-18)21-12-16(23)13-5-6-17-15(9-13)20-7-8-24-17/h5-6,9,14,20-22H,7-8,10-12H2,1-4H3
InChIKeyABPSOLHLAWTKFA-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.57
Rot. Bonds4

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

1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone (PubChem CID 82261202) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone
PubChem CID82261202
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone
SMILESCC1(C)CC(NCC(=O)c2ccc3c(c2)NCCO3)CC(C)(C)N1
InChIInChI=1S/C19H29N3O2/c1-18(2)10-14(11-19(3,4)22-18)21-12-16(23)13-5-6-17-15(9-13)20-7-8-24-17/h5-6,9,14,20-22H,7-8,10-12H2,1-4H3
InChIKeyABPSOLHLAWTKFA-UHFFFAOYSA-N
XLogP2.57
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)ethanone
CID 82261181
2-(benzylamino)-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261178
2-(diethylamino)-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82050770
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260674
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(furan-2-ylmethylamino)ethanone
CID 82261175
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[2-(4-hydroxyphenyl)ethylamino]ethanone
CID 95416716
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-propylsulfanylethanone
CID 82050777
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-pyrrolidin-1-ylethanone
CID 82050767
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-[[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1-oxobutan-2-yl]amino]acetic acid
CID 82261282

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone (CID 82261202) is 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone is CC1(C)CC(NCC(=O)c2ccc3c(c2)NCCO3)CC(C)(C)N1.
What is the InChIKey of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone?
The InChIKey is ABPSOLHLAWTKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-18(2)10-14(11-19(3,4)22-18)21-12-16(23)13-5-6-17-15(9-13)20-7-8-24-17/h5-6,9,14,20-22H,7-8,10-12H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone?
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone has a molecular weight of 331.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanone is sourced from PubChem (CID 82261202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).