4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide

C23H28N2O3 — CID 39278562

IUPAC4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)CCCc2nc3ccccc3o2)cc1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)17-11-13-18(14-12-17)27-16-15-24-21(26)9-6-10-22-25-19-7-4-5-8-20(19)28-22/h4-5,7-8,11-14H,6,9-10,15-16H2,1-3H3,(H,24,26)
InChIKeyKCULXSFQYJIBTK-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.64
Rot. Bonds8

About 4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide

4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide (PubChem CID 39278562) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide
PubChem CID39278562
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)CCCc2nc3ccccc3o2)cc1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)17-11-13-18(14-12-17)27-16-15-24-21(26)9-6-10-22-25-19-7-4-5-8-20(19)28-22/h4-5,7-8,11-14H,6,9-10,15-16H2,1-3H3,(H,24,26)
InChIKeyKCULXSFQYJIBTK-UHFFFAOYSA-N
XLogP4.64
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.64
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

4-(1,3-benzoxazol-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 100511083
4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 100511008
3-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 100510603
4-[3-[3-(1,3-benzoxazol-2-yl)propylamino]propoxy]benzoic acid
CID 69381398
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 78784602
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(methanesulfonamido)propanamide
CID 91838527
N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide
CID 100510362
N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide
CID 100510330
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
methyl 3-[4-(4-tert-butylphenoxy)butanoylamino]propanoate
CID 78773025
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118761451

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide (CID 39278562) is 4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide is CC(C)(C)c1ccc(OCCNC(=O)CCCc2nc3ccccc3o2)cc1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide?
The InChIKey is KCULXSFQYJIBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,3)17-11-13-18(14-12-17)27-16-15-24-21(26)9-6-10-22-25-19-7-4-5-8-20(19)28-22/h4-5,7-8,11-14H,6,9-10,15-16H2,1-3H3,(H,24,26).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide?
4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide has a molecular weight of 380.49 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide is sourced from PubChem (CID 39278562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).