2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide

C24H30N2O2 — CID 10022570

IUPAC2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide
SMILESCC(C)C(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12
InChIInChI=1S/C24H30N2O2/c1-18(2)24(27)25-17-9-14-20-13-8-15-21-23(20)28-22(26-21)16-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,15,18H,6-7,9,12,14,16-17H2,1-2H3,(H,25,27)
InChIKeyQAFRRIGDZFSTFO-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.10
Rot. Bonds10

About 2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide

2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide (PubChem CID 10022570) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide
PubChem CID10022570
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide
SMILESCC(C)C(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12
InChIInChI=1S/C24H30N2O2/c1-18(2)24(27)25-17-9-14-20-13-8-15-21-23(20)28-22(26-21)16-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,15,18H,6-7,9,12,14,16-17H2,1-2H3,(H,25,27)
InChIKeyQAFRRIGDZFSTFO-UHFFFAOYSA-N
XLogP5.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide (CID 10022570) is 2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide is CC(C)C(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12.
What is the InChIKey of 2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide?
The InChIKey is QAFRRIGDZFSTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18(2)24(27)25-17-9-14-20-13-8-15-21-23(20)28-22(26-21)16-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,15,18H,6-7,9,12,14,16-17H2,1-2H3,(H,25,27).
What are the key properties of 2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide?
2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide has a molecular weight of 378.52 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]propanamide is sourced from PubChem (CID 10022570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).