4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide

C15H22N2O3 — CID 79199156

IUPAC4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)CCCCO)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)16-15(20)12-6-8-13(9-7-12)17-14(19)5-3-4-10-18/h6-9,11,18H,3-5,10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyXJCVTFGYEKCPFF-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.93
Rot. Bonds7

About 4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide

4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide (PubChem CID 79199156) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
PubChem CID79199156
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)CCCCO)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)16-15(20)12-6-8-13(9-7-12)17-14(19)5-3-4-10-18/h6-9,11,18H,3-5,10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyXJCVTFGYEKCPFF-UHFFFAOYSA-N
XLogP1.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
CID 82849341
4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119298478
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
CID 62835672
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide
CID 126801750
ethyl 4-(5-hydroxypentanoylamino)benzoate
CID 79199550
4-(hexanoylcarbamothioylamino)-N-propan-2-ylbenzamide
CID 26158462
4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119740075
5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 79194887

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide (CID 79199156) is 4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NC(=O)CCCCO)cc1.
What is the InChIKey of 4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is XJCVTFGYEKCPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)16-15(20)12-6-8-13(9-7-12)17-14(19)5-3-4-10-18/h6-9,11,18H,3-5,10H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide?
4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 79199156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).