N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C11H23NO3 — CID 107300430

IUPACN-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(O)CCCNC(=O)COC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-9(13)6-5-7-12-10(14)8-15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyKMUBBTNPCBJUKC-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.08
Rot. Bonds6

About N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 107300430) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID107300430
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(O)CCCNC(=O)COC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-9(13)6-5-7-12-10(14)8-15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyKMUBBTNPCBJUKC-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106843199
2-[(2-methylpropan-2-yl)oxy]-N-(3-sulfanylpropyl)acetamide
CID 155051712
N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605068
N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide
CID 107300156
N-(6-bromohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107847524
N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605413
N-(4-hydroxypentyl)propanamide
CID 107299540
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide
CID 112605102
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 107300430) is N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(O)CCCNC(=O)COC(C)(C)C.
What is the InChIKey of N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is KMUBBTNPCBJUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(13)6-5-7-12-10(14)8-15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14).
What are the key properties of N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 217.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 107300430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).