2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide

C17H25ClN2O3 — CID 132777170

IUPAC2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide
SMILESCOCC1(CC(=O)N(C)C)CN(Cc2ccccc2Cl)CCO1
InChIInChI=1S/C17H25ClN2O3/c1-19(2)16(21)10-17(13-22-3)12-20(8-9-23-17)11-14-6-4-5-7-15(14)18/h4-7H,8-13H2,1-3H3
InChIKeyONVSCEHSMHQHKV-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.04
Rot. Bonds6

About 2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide

2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide (PubChem CID 132777170) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide
PubChem CID132777170
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide
SMILESCOCC1(CC(=O)N(C)C)CN(Cc2ccccc2Cl)CCO1
InChIInChI=1S/C17H25ClN2O3/c1-19(2)16(21)10-17(13-22-3)12-20(8-9-23-17)11-14-6-4-5-7-15(14)18/h4-7H,8-13H2,1-3H3
InChIKeyONVSCEHSMHQHKV-UHFFFAOYSA-N
XLogP2.04
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine
CID 53230360
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
(3R)-8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 97418763
(5S,9S)-2-[(2-chlorophenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124806617
3-[9-[(2-chlorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1,1-dimethylurea
CID 131661376
2-[(2R)-4-benzyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]acetamide
CID 124960032
1-[(2-chlorophenyl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878950
2-[2-[(4-chlorophenoxy)methyl]-4-[[2-(3-chlorophenoxy)phenyl]methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081817
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide
CID 110081896
2-[(2S)-4-[[2-(3-chlorophenoxy)phenyl]methyl]-2-[(4-fluorophenoxy)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124953234
1-[(2-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878918

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide (CID 132777170) is 2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide is COCC1(CC(=O)N(C)C)CN(Cc2ccccc2Cl)CCO1.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide?
The InChIKey is ONVSCEHSMHQHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-19(2)16(21)10-17(13-22-3)12-20(8-9-23-17)11-14-6-4-5-7-15(14)18/h4-7H,8-13H2,1-3H3.
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide?
2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide has a molecular weight of 340.85 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 132777170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).