5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide

C22H30N2O3 — CID 18710741

IUPAC5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(C(O)CN(C)C(C)CCc2ccccc2)ccc1OC
InChIInChI=1S/C22H30N2O3/c1-16(10-11-17-8-6-5-7-9-17)24(3)15-20(25)18-12-13-21(27-4)19(14-18)22(26)23-2/h5-9,12-14,16,20,25H,10-11,15H2,1-4H3,(H,23,26)
InChIKeyXWEGMVYFISRSGS-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.04
Rot. Bonds9

About 5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide

5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide (PubChem CID 18710741) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide
PubChem CID18710741
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(C(O)CN(C)C(C)CCc2ccccc2)ccc1OC
InChIInChI=1S/C22H30N2O3/c1-16(10-11-17-8-6-5-7-9-17)24(3)15-20(25)18-12-13-21(27-4)19(14-18)22(26)23-2/h5-9,12-14,16,20,25H,10-11,15H2,1-4H3,(H,23,26)
InChIKeyXWEGMVYFISRSGS-UHFFFAOYSA-N
XLogP3.04
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethyl-3-phenylpropanamide
CID 110629739
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
CID 110308885
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide
CID 5107886
N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide
CID 3345423
5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide
CID 21488926
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide
CID 110308876
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
4-[3-fluoro-3-[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propyl]benzoic acid
CID 69243930
2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 60970944

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide (CID 18710741) is 5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide is CNC(=O)c1cc(C(O)CN(C)C(C)CCc2ccccc2)ccc1OC.
What is the InChIKey of 5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide?
The InChIKey is XWEGMVYFISRSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16(10-11-17-8-6-5-7-9-17)24(3)15-20(25)18-12-13-21(27-4)19(14-18)22(26)23-2/h5-9,12-14,16,20,25H,10-11,15H2,1-4H3,(H,23,26).
What are the key properties of 5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide?
5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide has a molecular weight of 370.49 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-[methyl(4-phenylbutan-2-yl)amino]ethyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 18710741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).