5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide

C21H35NO3 — CID 160587393

IUPAC5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide
SMILESCC(C)CCOCCOCCCCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C21H35NO3/c1-17(2)12-14-25-16-15-24-13-6-5-7-21(23)22-20-10-8-19(9-11-20)18(3)4/h8-11,17-18H,5-7,12-16H2,1-4H3,(H,22,23)
InChIKeyPPQHYZBVSYFCMP-UHFFFAOYSA-N
MW349.51 g/mol
LogP5.00
Rot. Bonds13

About 5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide

5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide (PubChem CID 160587393) has the molecular formula C21H35NO3 and a molecular weight of 349.51 g/mol. Its IUPAC name is 5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide
PubChem CID160587393
Molecular FormulaC21H35NO3
Molecular Weight349.51 g/mol
Exact Mass349.26
IUPAC Name5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide
SMILESCC(C)CCOCCOCCCCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C21H35NO3/c1-17(2)12-14-25-16-15-24-13-6-5-7-21(23)22-20-10-8-19(9-11-20)18(3)4/h8-11,17-18H,5-7,12-16H2,1-4H3,(H,22,23)
InChIKeyPPQHYZBVSYFCMP-UHFFFAOYSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 55.00
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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Related Compounds

4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
5-oxo-5-(4-propan-2-ylanilino)pentanoate
CID 7038718
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4949733
5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide
CID 35019095
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602
N-(3-methylbutyl)-5-[2-[2-[(6-methyl-2-oxoheptyl)amino]ethoxy]ethoxy]pentanamide;4-methyl-N-[2-[2-[5-(3-methylbutylamino)-5-oxopentoxy]ethoxy]ethyl]pentanamide;4-methyl-N-[2-[2-(7-methyl-4-oxooctoxy)ethoxy]ethyl]pentanamide;N-[2-[2-[4-oxo-5-(4-propan-2-ylphenyl)pentoxy]ethoxy]ethyl]-2-(4-propan-2-ylphenyl)acetamide;1-[2-[2-[4-oxo-5-(4-propan-2-ylphenyl)pentoxy]ethoxy]ethyl]-3-(4-propan-2-ylphenyl)urea;5-[2-[2-[[2-oxo-3-(4-propan-2-ylphenyl)propyl]amino]ethoxy]ethoxy]-N-(4-propan-2-ylphenyl)pentanamide;5-[2-[2-[[2-oxo-3-(4-propan-2-ylphenyl)propyl]amino]ethoxy]ethoxy]-1-(4-propan-2-ylphenyl)pentan-2-one
CID 161012530
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
3-(2-methoxyethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109015241
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
4-(16-methylheptadecanoylamino)benzoic acid
CID 139715383
6-methyl-N-[4-(2-methylpropanoyl)phenyl]heptanamide
CID 168735122

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide?
The IUPAC name of 5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide (CID 160587393) is 5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide.
What is the SMILES notation for 5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide?
The canonical SMILES for 5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide is CC(C)CCOCCOCCCCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide?
The InChIKey is PPQHYZBVSYFCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO3/c1-17(2)12-14-25-16-15-24-13-6-5-7-21(23)22-20-10-8-19(9-11-20)18(3)4/h8-11,17-18H,5-7,12-16H2,1-4H3,(H,22,23).
What are the key properties of 5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide?
5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide has a molecular weight of 349.51 g/mol, XLogP of 5.00, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide is sourced from PubChem (CID 160587393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).