N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

C22H28N2O3 — CID 32729367

IUPACN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-24(2)21(17-7-4-3-5-8-17)15-23-22(25)18-10-12-19(13-11-18)27-16-20-9-6-14-26-20/h3-5,7-8,10-13,20-21H,6,9,14-16H2,1-2H3,(H,23,25)/t20-,21-/m0/s1
InChIKeyGMVVCRQDSRPODK-SFTDATJTSA-N
MW368.48 g/mol
LogP3.28
Rot. Bonds8

About N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 32729367) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID32729367
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-24(2)21(17-7-4-3-5-8-17)15-23-22(25)18-10-12-19(13-11-18)27-16-20-9-6-14-26-20/h3-5,7-8,10-13,20-21H,6,9,14-16H2,1-2H3,(H,23,25)/t20-,21-/m0/s1
InChIKeyGMVVCRQDSRPODK-SFTDATJTSA-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-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044138
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 34962763
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
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
2-methyl-3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]-2-phenylpropanoic acid
CID 120700819
N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 134029356
4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55492878
2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119209049

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 32729367) is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is CN(C)[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is GMVVCRQDSRPODK-SFTDATJTSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-24(2)21(17-7-4-3-5-8-17)15-23-22(25)18-10-12-19(13-11-18)27-16-20-9-6-14-26-20/h3-5,7-8,10-13,20-21H,6,9,14-16H2,1-2H3,(H,23,25)/t20-,21-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]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-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 32729367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).