N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C18H28N2O4 — CID 95158383

IUPACN-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccccc1OCC(=O)N(CCN(C)C)C[C@@H]1CCCO1
InChIInChI=1S/C18H28N2O4/c1-19(2)10-11-20(13-15-7-6-12-23-15)18(21)14-24-17-9-5-4-8-16(17)22-3/h4-5,8-9,15H,6-7,10-14H2,1-3H3/t15-/m0/s1
InChIKeyXZGSSAFQLJCRGR-HNNXBMFYSA-N
MW336.43 g/mol
LogP1.64
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 95158383) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID95158383
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccccc1OCC(=O)N(CCN(C)C)C[C@@H]1CCCO1
InChIInChI=1S/C18H28N2O4/c1-19(2)10-11-20(13-15-7-6-12-23-15)18(21)14-24-17-9-5-4-8-16(17)22-3/h4-5,8-9,15H,6-7,10-14H2,1-3H3/t15-/m0/s1
InChIKeyXZGSSAFQLJCRGR-HNNXBMFYSA-N
XLogP1.64
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-fluorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40841911
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 78798881
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide
CID 131895770
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 99123443
2-(2-bromo-4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-propylacetamide
CID 3352017
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 95158383) is N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is COc1ccccc1OCC(=O)N(CCN(C)C)C[C@@H]1CCCO1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is XZGSSAFQLJCRGR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-19(2)10-11-20(13-15-7-6-12-23-15)18(21)14-24-17-9-5-4-8-16(17)22-3/h4-5,8-9,15H,6-7,10-14H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 336.43 g/mol, XLogP of 1.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 95158383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).