N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide

C22H28N2O3 — CID 43044138

IUPACN-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESCN(C)C(CNC(=O)c1cccc(OCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-24(2)21(17-8-4-3-5-9-17)15-23-22(25)18-10-6-11-19(14-18)27-16-20-12-7-13-26-20/h3-6,8-11,14,20-21H,7,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeySOKAEGSMWNNGJJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.28
Rot. Bonds8

About N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide

N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 43044138) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID43044138
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESCN(C)C(CNC(=O)c1cccc(OCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-24(2)21(17-8-4-3-5-9-17)15-23-22(25)18-10-6-11-19(14-18)27-16-20-12-7-13-26-20/h3-6,8-11,14,20-21H,7,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeySOKAEGSMWNNGJJ-UHFFFAOYSA-N
XLogP3.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 34962763
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 134026942
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 32629427
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 51968449
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide (CID 43044138) is N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide is CN(C)C(CNC(=O)c1cccc(OCC2CCCO2)c1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is SOKAEGSMWNNGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-24(2)21(17-8-4-3-5-9-17)15-23-22(25)18-10-6-11-19(14-18)27-16-20-12-7-13-26-20/h3-6,8-11,14,20-21H,7,12-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide?
N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 43044138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).