3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide

C25H32N2O4 — CID 17202386

IUPAC3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C25H32N2O4/c1-17(31-21-12-10-19(11-13-21)25(2,3)4)23(28)27-20-8-5-7-18(15-20)24(29)26-16-22-9-6-14-30-22/h5,7-8,10-13,15,17,22H,6,9,14,16H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyDOVWBOYAHRPVJB-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.30
Rot. Bonds7

About 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide

3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 17202386) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID17202386
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C25H32N2O4/c1-17(31-21-12-10-19(11-13-21)25(2,3)4)23(28)27-20-8-5-7-18(15-20)24(29)26-16-22-9-6-14-30-22/h5,7-8,10-13,15,17,22H,6,9,14,16H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyDOVWBOYAHRPVJB-UHFFFAOYSA-N
XLogP4.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1301403
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
N-(oxolan-2-ylmethyl)-3-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17202673
1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053079
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54829955
N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide
CID 17198918
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17202715
N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17202238
3-(2-methylpropanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202643
3-(2,2-dimethylpropanoylcarbamothioylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42427599
3-[(4-methoxybenzoyl)carbamothioylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42580174
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 17202386) is 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is DOVWBOYAHRPVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-17(31-21-12-10-19(11-13-21)25(2,3)4)23(28)27-20-8-5-7-18(15-20)24(29)26-16-22-9-6-14-30-22/h5,7-8,10-13,15,17,22H,6,9,14,16H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 424.54 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 17202386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).