(2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one

C16H32N2O2 — CID 137390831

IUPAC(2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one
SMILESCCN1CCCCN(CCC(C)C)CCO[C@H](C)C1=O
InChIInChI=1S/C16H32N2O2/c1-5-18-10-7-6-9-17(11-8-14(2)3)12-13-20-15(4)16(18)19/h14-15H,5-13H2,1-4H3/t15-/m1/s1
InChIKeyJOHONMKMDQYIAY-OAHLLOKOSA-N
MW284.44 g/mol
LogP2.38
Rot. Bonds4

About (2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one

(2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one (PubChem CID 137390831) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one.

Molecular Properties

Compound Name(2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one
PubChem CID137390831
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one
SMILESCCN1CCCCN(CCC(C)C)CCO[C@H](C)C1=O
InChIInChI=1S/C16H32N2O2/c1-5-18-10-7-6-9-17(11-8-14(2)3)12-13-20-15(4)16(18)19/h14-15H,5-13H2,1-4H3/t15-/m1/s1
InChIKeyJOHONMKMDQYIAY-OAHLLOKOSA-N
XLogP2.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one?
The IUPAC name of (2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one (CID 137390831) is (2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one.
What is the SMILES notation for (2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one?
The canonical SMILES for (2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one is CCN1CCCCN(CCC(C)C)CCO[C@H](C)C1=O.
What is the InChIKey of (2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one?
The InChIKey is JOHONMKMDQYIAY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-18-10-7-6-9-17(11-8-14(2)3)12-13-20-15(4)16(18)19/h14-15H,5-13H2,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one?
(2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one has a molecular weight of 284.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one is sourced from PubChem (CID 137390831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).