2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide

C18H27FN2O3 — CID 128975931

IUPAC2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC1CN(Cc2cccc(F)c2)CC(C)(C)O1
InChIInChI=1S/C18H27FN2O3/c1-18(2)13-21(9-14-6-5-7-15(19)8-14)10-16(24-18)11-23-12-17(22)20(3)4/h5-8,16H,9-13H2,1-4H3
InChIKeyAMCPHKGEJNXKBL-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.91
Rot. Bonds6

About 2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide

2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 128975931) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
PubChem CID128975931
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC1CN(Cc2cccc(F)c2)CC(C)(C)O1
InChIInChI=1S/C18H27FN2O3/c1-18(2)13-21(9-14-6-5-7-15(19)8-14)10-16(24-18)11-23-12-17(22)20(3)4/h5-8,16H,9-13H2,1-4H3
InChIKeyAMCPHKGEJNXKBL-UHFFFAOYSA-N
XLogP1.91
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
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)-2-ethyl-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561057
(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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide (CID 128975931) is 2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COCC1CN(Cc2cccc(F)c2)CC(C)(C)O1.
What is the InChIKey of 2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is AMCPHKGEJNXKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-18(2)13-21(9-14-6-5-7-15(19)8-14)10-16(24-18)11-23-12-17(22)20(3)4/h5-8,16H,9-13H2,1-4H3.
What are the key properties of 2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 338.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 128975931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).