2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide

C17H20N2O3 — CID 17010772

IUPAC2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2onc3c2CCCC3)c1
InChIInChI=1S/C17H20N2O3/c1-11-7-12(2)9-13(8-11)21-10-16(20)18-17-14-5-3-4-6-15(14)19-22-17/h7-9H,3-6,10H2,1-2H3,(H,18,20)
InChIKeyAZMRZIWDAUYVOV-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.19
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide

2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide (PubChem CID 17010772) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
PubChem CID17010772
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2onc3c2CCCC3)c1
InChIInChI=1S/C17H20N2O3/c1-11-7-12(2)9-13(8-11)21-10-16(20)18-17-14-5-3-4-6-15(14)19-22-17/h7-9H,3-6,10H2,1-2H3,(H,18,20)
InChIKeyAZMRZIWDAUYVOV-UHFFFAOYSA-N
XLogP3.19
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 42279154
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
2-(2-methylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 40947683
2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
CID 19244640
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid
CID 41177576
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867
N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 3379607
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331365
N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 1326101
5-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 17359281
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 42279138
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 42279135

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide (CID 17010772) is 2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide is Cc1cc(C)cc(OCC(=O)Nc2onc3c2CCCC3)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide?
The InChIKey is AZMRZIWDAUYVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-7-12(2)9-13(8-11)21-10-16(20)18-17-14-5-3-4-6-15(14)19-22-17/h7-9H,3-6,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide?
2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 17010772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).