(2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one

C18H27FN2O2 — CID 137391085

IUPAC(2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one
SMILESCCN1CCCCN(Cc2ccc(F)cc2)CCO[C@H](C)C1=O
InChIInChI=1S/C18H27FN2O2/c1-3-21-11-5-4-10-20(12-13-23-15(2)18(21)22)14-16-6-8-17(19)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m1/s1
InChIKeyHVBLVAIYSWNKQL-OAHLLOKOSA-N
MW322.42 g/mol
LogP2.68
Rot. Bonds3

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

(2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one (PubChem CID 137391085) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is (2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one.

Molecular Properties

Compound Name(2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one
PubChem CID137391085
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name(2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one
SMILESCCN1CCCCN(Cc2ccc(F)cc2)CCO[C@H](C)C1=O
InChIInChI=1S/C18H27FN2O2/c1-3-21-11-5-4-10-20(12-13-23-15(2)18(21)22)14-16-6-8-17(19)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m1/s1
InChIKeyHVBLVAIYSWNKQL-OAHLLOKOSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-9-[2-(2,5-Difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 4445443
2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560871
(2R)-4-ethyl-9-[2-(2-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560963
(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560969
(2R)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560990
(2R)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561095
4-Ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561097
(2R)-9-[2-(2,3-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561099
4-Benzyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562403
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
2,2'-oxybis(N-benzylacetamide)
CID 2322352

Frequently Asked Questions

What is the IUPAC name of (2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one?
The IUPAC name of (2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one (CID 137391085) is (2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one.
What is the SMILES notation for (2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one?
The canonical SMILES for (2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one is CCN1CCCCN(Cc2ccc(F)cc2)CCO[C@H](C)C1=O.
What is the InChIKey of (2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one?
The InChIKey is HVBLVAIYSWNKQL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-3-21-11-5-4-10-20(12-13-23-15(2)18(21)22)14-16-6-8-17(19)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one?
(2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one has a molecular weight of 322.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazacycloundecan-3-one is sourced from PubChem (CID 137391085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).