2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide

C23H28N2O3 — CID 108792083

IUPAC2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide
SMILESCCCCCCOc1ccc(NC(=O)Cc2noc3cc(C)c(C)cc23)cc1
InChIInChI=1S/C23H28N2O3/c1-4-5-6-7-12-27-19-10-8-18(9-11-19)24-23(26)15-21-20-13-16(2)17(3)14-22(20)28-25-21/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,24,26)
InChIKeyVFCMLLXVKXMFMJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.58
Rot. Bonds9

About 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide (PubChem CID 108792083) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide
PubChem CID108792083
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide
SMILESCCCCCCOc1ccc(NC(=O)Cc2noc3cc(C)c(C)cc23)cc1
InChIInChI=1S/C23H28N2O3/c1-4-5-6-7-12-27-19-10-8-18(9-11-19)24-23(26)15-21-20-13-16(2)17(3)14-22(20)28-25-21/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,24,26)
InChIKeyVFCMLLXVKXMFMJ-UHFFFAOYSA-N
XLogP5.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 108804388
methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108804334
N-(4-decoxyphenyl)butanamide
CID 143303175
N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide
CID 26163356
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 4939326
3-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-methylbenzoic acid
CID 108804310
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108791948

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide (CID 108792083) is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide is CCCCCCOc1ccc(NC(=O)Cc2noc3cc(C)c(C)cc23)cc1.
What is the InChIKey of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide?
The InChIKey is VFCMLLXVKXMFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-5-6-7-12-27-19-10-8-18(9-11-19)24-23(26)15-21-20-13-16(2)17(3)14-22(20)28-25-21/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,24,26).
What are the key properties of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide?
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide is sourced from PubChem (CID 108792083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).