N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide

C25H33N3O3 — CID 174189166

IUPACN-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide
SMILESCC(C)CC(CC(=O)NCC(Cc1ccc2[nH]c(=O)oc2c1)N(C)C)c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-17(2)12-20(19-8-6-5-7-9-19)15-24(29)26-16-21(28(3)4)13-18-10-11-22-23(14-18)31-25(30)27-22/h5-11,14,17,20-21H,12-13,15-16H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyOAPKZUKCVWMRGA-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.93
Rot. Bonds10

About N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide

N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide (PubChem CID 174189166) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide
PubChem CID174189166
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide
SMILESCC(C)CC(CC(=O)NCC(Cc1ccc2[nH]c(=O)oc2c1)N(C)C)c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-17(2)12-20(19-8-6-5-7-9-19)15-24(29)26-16-21(28(3)4)13-18-10-11-22-23(14-18)31-25(30)27-22/h5-11,14,17,20-21H,12-13,15-16H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyOAPKZUKCVWMRGA-UHFFFAOYSA-N
XLogP3.93
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide?
The IUPAC name of N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide (CID 174189166) is N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide?
The canonical SMILES for N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide is CC(C)CC(CC(=O)NCC(Cc1ccc2[nH]c(=O)oc2c1)N(C)C)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide?
The InChIKey is OAPKZUKCVWMRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-17(2)12-20(19-8-6-5-7-9-19)15-24(29)26-16-21(28(3)4)13-18-10-11-22-23(14-18)31-25(30)27-22/h5-11,14,17,20-21H,12-13,15-16H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide?
N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide has a molecular weight of 423.56 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]-5-methyl-3-phenylhexanamide is sourced from PubChem (CID 174189166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).