(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

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Related Compounds

(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 137370776
8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 137370665
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one
CID 117008575
4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069856
(2S)-2,4-dimethylmorpholin-3-one
CID 163399028
3-hydroxy-1-(3-methylbutyl)piperidin-2-one
CID 117014091
4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one
CID 145297741
3-[4-(3-methylbutyl)-3-oxomorpholin-2-yl]propanoic acid
CID 117008445
3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one
CID 83160675
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
1-ethyl-3-methyl-1,4-diazocan-2-one
CID 117016221

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).