2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide

C19H20N2O4 — CID 110794633

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc3nc(C)oc3c2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-12-21-15-6-4-14(9-17(15)25-12)11-20-19(22)10-13-5-7-16(23-2)18(8-13)24-3/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyNAZJDWXBTMFMQX-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.01
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide (PubChem CID 110794633) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
PubChem CID110794633
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc3nc(C)oc3c2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-12-21-15-6-4-14(9-17(15)25-12)11-20-19(22)10-13-5-7-16(23-2)18(8-13)24-3/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyNAZJDWXBTMFMQX-UHFFFAOYSA-N
XLogP3.01
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 110741805
2-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113199047
2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794630
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
CID 110785147
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide
CID 115155728
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110785096
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110796038
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide
CID 110679842
2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089373
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide (CID 110794633) is 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2ccc3nc(C)oc3c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide?
The InChIKey is NAZJDWXBTMFMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-21-15-6-4-14(9-17(15)25-12)11-20-19(22)10-13-5-7-16(23-2)18(8-13)24-3/h4-9H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide is sourced from PubChem (CID 110794633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).