2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone

C18H26N2O2 — CID 82261703

IUPAC2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
SMILESCCC1CNc2cc(C(=O)CNC3CCCCC3)ccc2O1
InChIInChI=1S/C18H26N2O2/c1-2-15-11-20-16-10-13(8-9-18(16)22-15)17(21)12-19-14-6-4-3-5-7-14/h8-10,14-15,19-20H,2-7,11-12H2,1H3
InChIKeyKYMFAXWBBLIQJN-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.37
Rot. Bonds5

About 2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone

2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone (PubChem CID 82261703) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
PubChem CID82261703
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
SMILESCCC1CNc2cc(C(=O)CNC3CCCCC3)ccc2O1
InChIInChI=1S/C18H26N2O2/c1-2-15-11-20-16-10-13(8-9-18(16)22-15)17(21)12-19-14-6-4-3-5-7-14/h8-10,14-15,19-20H,2-7,11-12H2,1H3
InChIKeyKYMFAXWBBLIQJN-UHFFFAOYSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The IUPAC name of 2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone (CID 82261703) is 2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone.
What is the SMILES notation for 2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The canonical SMILES for 2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone is CCC1CNc2cc(C(=O)CNC3CCCCC3)ccc2O1.
What is the InChIKey of 2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
The InChIKey is KYMFAXWBBLIQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-15-11-20-16-10-13(8-9-18(16)22-15)17(21)12-19-14-6-4-3-5-7-14/h8-10,14-15,19-20H,2-7,11-12H2,1H3.
What are the key properties of 2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone?
2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone has a molecular weight of 302.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone is sourced from PubChem (CID 82261703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).