2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone

C18H26N2O2 — CID 82261663

IUPAC2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
SMILESCC1CNc2cc(C(=O)CNC3CCCCCC3)ccc2O1
InChIInChI=1S/C18H26N2O2/c1-13-11-20-16-10-14(8-9-18(16)22-13)17(21)12-19-15-6-4-2-3-5-7-15/h8-10,13,15,19-20H,2-7,11-12H2,1H3
InChIKeyFMHJSBDZJQJJQL-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.37
Rot. Bonds4

About 2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone

2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone (PubChem CID 82261663) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone.

Molecular Properties

Compound Name2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
PubChem CID82261663
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
SMILESCC1CNc2cc(C(=O)CNC3CCCCCC3)ccc2O1
InChIInChI=1S/C18H26N2O2/c1-13-11-20-16-10-14(8-9-18(16)22-13)17(21)12-19-15-6-4-2-3-5-7-15/h8-10,13,15,19-20H,2-7,11-12H2,1H3
InChIKeyFMHJSBDZJQJJQL-UHFFFAOYSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261703
2-(2-hydroxyethylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261643
2-[[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]amino]propanoic acid
CID 82261647
2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260960
1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82260944
2-(cyclohexylamino)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 82257913
N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]cyclohexanamine
CID 82261572
2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
CID 82261602
1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 82260924
2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101392
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone
CID 82101744

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The IUPAC name of 2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone (CID 82261663) is 2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone.
What is the SMILES notation for 2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The canonical SMILES for 2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone is CC1CNc2cc(C(=O)CNC3CCCCCC3)ccc2O1.
What is the InChIKey of 2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The InChIKey is FMHJSBDZJQJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-11-20-16-10-14(8-9-18(16)22-13)17(21)12-19-15-6-4-2-3-5-7-15/h8-10,13,15,19-20H,2-7,11-12H2,1H3.
What are the key properties of 2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone has a molecular weight of 302.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone is sourced from PubChem (CID 82261663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).