3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide

C22H28N2O3 — CID 17222714

IUPAC3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-5-13-23-22(26)18-7-6-8-19(14-18)24-21(25)16(4)27-20-11-9-17(10-12-20)15(2)3/h6-12,14-16H,5,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyQMRJYJFXQWQCFW-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.36
Rot. Bonds8

About 3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide

3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide (PubChem CID 17222714) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
PubChem CID17222714
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-5-13-23-22(26)18-7-6-8-19(14-18)24-21(25)16(4)27-20-11-9-17(10-12-20)15(2)3/h6-12,14-16H,5,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyQMRJYJFXQWQCFW-UHFFFAOYSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222669
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105
N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 17196958
N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 43887303
N-(2-methylpropyl)-3-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 976970
N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17234372
N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 17218985
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822
4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17218775
N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17229797
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide?
The IUPAC name of 3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide (CID 17222714) is 3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide.
What is the SMILES notation for 3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide?
The canonical SMILES for 3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide?
The InChIKey is QMRJYJFXQWQCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-13-23-22(26)18-7-6-8-19(14-18)24-21(25)16(4)27-20-11-9-17(10-12-20)15(2)3/h6-12,14-16H,5,13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide?
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide is sourced from PubChem (CID 17222714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).