2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

C22H26N2O2 — CID 18203969

IUPAC2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
SMILESCC(C)c1ccc(C(NC(=O)Cc2noc3ccccc23)C(C)C)cc1
InChIInChI=1S/C22H26N2O2/c1-14(2)16-9-11-17(12-10-16)22(15(3)4)23-21(25)13-19-18-7-5-6-8-20(18)26-24-19/h5-12,14-15,22H,13H2,1-4H3,(H,23,25)
InChIKeyXLEAFEVOYJJLEK-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.01
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (PubChem CID 18203969) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
PubChem CID18203969
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
SMILESCC(C)c1ccc(C(NC(=O)Cc2noc3ccccc23)C(C)C)cc1
InChIInChI=1S/C22H26N2O2/c1-14(2)16-9-11-17(12-10-16)22(15(3)4)23-21(25)13-19-18-7-5-6-8-20(18)26-24-19/h5-12,14-15,22H,13H2,1-4H3,(H,23,25)
InChIKeyXLEAFEVOYJJLEK-UHFFFAOYSA-N
XLogP5.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 9258691
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84948325
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95193053
2-(1,2-benzoxazol-3-yl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 51218031
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide
CID 9152218
2-(1,2-benzoxazol-3-yl)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
CID 94618514
[(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938300
2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 51217461
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461213
propan-2-yl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-phenylpropanoate
CID 51257037

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (CID 18203969) is 2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is CC(C)c1ccc(C(NC(=O)Cc2noc3ccccc23)C(C)C)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The InChIKey is XLEAFEVOYJJLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14(2)16-9-11-17(12-10-16)22(15(3)4)23-21(25)13-19-18-7-5-6-8-20(18)26-24-19/h5-12,14-15,22H,13H2,1-4H3,(H,23,25).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is sourced from PubChem (CID 18203969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).