3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide

C18H22N2O2 — CID 27787497

IUPAC3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-13(16-10-5-6-11-17(16)22-4)19-18(21)14-8-7-9-15(12-14)20(2)3/h5-13H,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyZELFFOMPELDOCM-ZDUSSCGKSA-N
MW298.39 g/mol
LogP3.25
Rot. Bonds5

About 3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide

3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 27787497) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
PubChem CID27787497
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-13(16-10-5-6-11-17(16)22-4)19-18(21)14-8-7-9-15(12-14)20(2)3/h5-13H,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyZELFFOMPELDOCM-ZDUSSCGKSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719108
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 100610475
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide
CID 55780983
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
2-bromo-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 103753873
4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390616
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
4-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbenzamide
CID 28558287
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7719095
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
CID 26618887

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide (CID 27787497) is 3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1[C@H](C)NC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is ZELFFOMPELDOCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(16-10-5-6-11-17(16)22-4)19-18(21)14-8-7-9-15(12-14)20(2)3/h5-13H,1-4H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 27787497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).