N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide

C18H28N2O3 — CID 110621142

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)CC2CCCCO2)N(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-20(2)17(14-7-9-15(22-3)10-8-14)13-19-18(21)12-16-6-4-5-11-23-16/h7-10,16-17H,4-6,11-13H2,1-3H3,(H,19,21)
InChIKeyDLTYHCHRCMONME-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.37
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide (PubChem CID 110621142) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide
PubChem CID110621142
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)CC2CCCCO2)N(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-20(2)17(14-7-9-15(22-3)10-8-14)13-19-18(21)12-16-6-4-5-11-23-16/h7-10,16-17H,4-6,11-13H2,1-3H3,(H,19,21)
InChIKeyDLTYHCHRCMONME-UHFFFAOYSA-N
XLogP2.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide
CID 110622301
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(oxan-2-yl)acetamide
CID 110621230
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079
N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide
CID 110628016
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448362
1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 112501881
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688
2-cyclopentyl-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 110407933
N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 46450389
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
CID 110302059
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide (CID 110621142) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide is COc1ccc(C(CNC(=O)CC2CCCCO2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide?
The InChIKey is DLTYHCHRCMONME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-20(2)17(14-7-9-15(22-3)10-8-14)13-19-18(21)12-16-6-4-5-11-23-16/h7-10,16-17H,4-6,11-13H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide has a molecular weight of 320.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 110621142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).