N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

C16H21N3O5 — CID 110629749

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(C(O)CN(C)C(=O)Cc2noc(C)n2)cc1OC
InChIInChI=1S/C16H21N3O5/c1-10-17-15(18-24-10)8-16(21)19(2)9-12(20)11-5-6-13(22-3)14(7-11)23-4/h5-7,12,20H,8-9H2,1-4H3
InChIKeyMZHZAMNHTUWKJC-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.13
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 110629749) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID110629749
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(C(O)CN(C)C(=O)Cc2noc(C)n2)cc1OC
InChIInChI=1S/C16H21N3O5/c1-10-17-15(18-24-10)8-16(21)19(2)9-12(20)11-5-6-13(22-3)14(7-11)23-4/h5-7,12,20H,8-9H2,1-4H3
InChIKeyMZHZAMNHTUWKJC-UHFFFAOYSA-N
XLogP1.13
TPSA97.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78931097
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
CID 110308885
4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide
CID 110629772
3-butan-2-yl-1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylurea
CID 110629742
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethyl-3-phenylpropanamide
CID 110629739
(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide
CID 162405136
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110422441
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 110308894
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
CID 110291255

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (CID 110629749) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is COc1ccc(C(O)CN(C)C(=O)Cc2noc(C)n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is MZHZAMNHTUWKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-10-17-15(18-24-10)8-16(21)19(2)9-12(20)11-5-6-13(22-3)14(7-11)23-4/h5-7,12,20H,8-9H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 335.36 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 110629749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).