3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide

C20H26N2O2 — CID 125163466

IUPAC3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide
SMILESCO[C@H](C)CCNC(=O)c1cccc(-c2cccc(N(C)C)c2)c1
InChIInChI=1S/C20H26N2O2/c1-15(24-4)11-12-21-20(23)18-9-5-7-16(13-18)17-8-6-10-19(14-17)22(2)3/h5-10,13-15H,11-12H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyTWCYUTHSAUSWOX-OAHLLOKOSA-N
MW326.44 g/mol
LogP3.57
Rot. Bonds7

About 3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide

3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide (PubChem CID 125163466) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide
PubChem CID125163466
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide
SMILESCO[C@H](C)CCNC(=O)c1cccc(-c2cccc(N(C)C)c2)c1
InChIInChI=1S/C20H26N2O2/c1-15(24-4)11-12-21-20(23)18-9-5-7-16(13-18)17-8-6-10-19(14-17)22(2)3/h5-10,13-15H,11-12H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyTWCYUTHSAUSWOX-OAHLLOKOSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide
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3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
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CID 107321118
3-(dimethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30604269
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726
N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
CID 66090676
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide (CID 125163466) is 3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide is CO[C@H](C)CCNC(=O)c1cccc(-c2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide?
The InChIKey is TWCYUTHSAUSWOX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(24-4)11-12-21-20(23)18-9-5-7-16(13-18)17-8-6-10-19(14-17)22(2)3/h5-10,13-15H,11-12H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide?
3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide has a molecular weight of 326.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide is sourced from PubChem (CID 125163466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).