(2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one

C13H26N2O — CID 71129117

IUPAC(2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one
SMILESCCC1(C)CC(=O)NC(C)[C@@](C)(CC)N1C
InChIInChI=1S/C13H26N2O/c1-7-12(4)9-11(16)14-10(3)13(5,8-2)15(12)6/h10H,7-9H2,1-6H3,(H,14,16)/t10?,12?,13-/m1/s1
InChIKeyNVEPROXUPKYYQU-KGPNIALWSA-N
MW226.36 g/mol
LogP2.16
Rot. Bonds2

About (2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one

(2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one (PubChem CID 71129117) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one
PubChem CID71129117
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one
SMILESCCC1(C)CC(=O)NC(C)[C@@](C)(CC)N1C
InChIInChI=1S/C13H26N2O/c1-7-12(4)9-11(16)14-10(3)13(5,8-2)15(12)6/h10H,7-9H2,1-6H3,(H,14,16)/t10?,12?,13-/m1/s1
InChIKeyNVEPROXUPKYYQU-KGPNIALWSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one?
The IUPAC name of (2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one (CID 71129117) is (2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one.
What is the SMILES notation for (2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one?
The canonical SMILES for (2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one is CCC1(C)CC(=O)NC(C)[C@@](C)(CC)N1C.
What is the InChIKey of (2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one?
The InChIKey is NVEPROXUPKYYQU-KGPNIALWSA-N. The full InChI is InChI=1S/C13H26N2O/c1-7-12(4)9-11(16)14-10(3)13(5,8-2)15(12)6/h10H,7-9H2,1-6H3,(H,14,16)/t10?,12?,13-/m1/s1.
What are the key properties of (2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one?
(2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one has a molecular weight of 226.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one is sourced from PubChem (CID 71129117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).