3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide

C21H26N2O2 — CID 125174087

IUPAC3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
SMILESCN(C)c1cccc(-c2cccc(C(=O)NCC[C@H]3CCOC3)c2)c1
InChIInChI=1S/C21H26N2O2/c1-23(2)20-8-4-6-18(14-20)17-5-3-7-19(13-17)21(24)22-11-9-16-10-12-25-15-16/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyFMVHAHAMWYFKLT-INIZCTEOSA-N
MW338.45 g/mol
LogP3.58
Rot. Bonds6

About 3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide

3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide (PubChem CID 125174087) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
PubChem CID125174087
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
SMILESCN(C)c1cccc(-c2cccc(C(=O)NCC[C@H]3CCOC3)c2)c1
InChIInChI=1S/C21H26N2O2/c1-23(2)20-8-4-6-18(14-20)17-5-3-7-19(13-17)21(24)22-11-9-16-10-12-25-15-16/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyFMVHAHAMWYFKLT-INIZCTEOSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126452642
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 115160939
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 126448906
N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide
CID 122567008
3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125444929
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121494638
3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide
CID 125163466

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide (CID 125174087) is 3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide is CN(C)c1cccc(-c2cccc(C(=O)NCC[C@H]3CCOC3)c2)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
The InChIKey is FMVHAHAMWYFKLT-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23(2)20-8-4-6-18(14-20)17-5-3-7-19(13-17)21(24)22-11-9-16-10-12-25-15-16/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.58, 6 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-[2-[(3S)-oxolan-3-yl]ethyl]benzamide is sourced from PubChem (CID 125174087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).