4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide

C13H25NO2 — CID 79356434

IUPAC4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
SMILESCC(O)CCC(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C13H25NO2/c1-9(15)6-7-11(16)14-8-10-12(2,3)13(10,4)5/h9-10,15H,6-8H2,1-5H3,(H,14,16)
InChIKeySXEWHXOLBKPGFR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.95
Rot. Bonds5

About 4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide

4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide (PubChem CID 79356434) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
PubChem CID79356434
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
SMILESCC(O)CCC(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C13H25NO2/c1-9(15)6-7-11(16)14-8-10-12(2,3)13(10,4)5/h9-10,15H,6-8H2,1-5H3,(H,14,16)
InChIKeySXEWHXOLBKPGFR-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79362858
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 107910275
3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 131910089
4-hydroxy-N-[(3-hydroxycyclobutyl)methyl]pentanamide
CID 79192566
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 79191808
2-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 136539129
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
N-(4-aminobutyl)-4-hydroxypentanamide
CID 79203295
3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 79358044
4-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
CID 79192403
4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
CID 79361337

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide (CID 79356434) is 4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide is CC(O)CCC(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The InChIKey is SXEWHXOLBKPGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(15)6-7-11(16)14-8-10-12(2,3)13(10,4)5/h9-10,15H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide has a molecular weight of 227.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide is sourced from PubChem (CID 79356434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).