N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide

C13H27NO3 — CID 111484023

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C13H27NO3/c1-10(2)8-17-7-6-12(15)14-9-13(5,16)11(3)4/h10-11,16H,6-9H2,1-5H3,(H,14,15)
InChIKeyZVOAKPRHUDAVLF-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.57
Rot. Bonds8

About N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide

N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide (PubChem CID 111484023) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide
PubChem CID111484023
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C13H27NO3/c1-10(2)8-17-7-6-12(15)14-9-13(5,16)11(3)4/h10-11,16H,6-9H2,1-5H3,(H,14,15)
InChIKeyZVOAKPRHUDAVLF-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.57
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-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide
CID 111451949
3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109921
3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66179484
3-(2-methylpropoxy)-N-propan-2-ylpropanamide
CID 134180338
N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide
CID 65109854
N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111484329
N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide
CID 111477947
4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide
CID 177120223
tert-butyl 4-[3-[3-(2-methylpropoxy)propanoylamino]propyl]piperazine-1-carboxylate
CID 55867055
3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide
CID 95769073
2-(diethylamino)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111483937
3-(2-methylpropoxy)propanoic acid
CID 15033462

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide (CID 111484023) is N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)NCC(C)(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide?
The InChIKey is ZVOAKPRHUDAVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-10(2)8-17-7-6-12(15)14-9-13(5,16)11(3)4/h10-11,16H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide?
N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide has a molecular weight of 245.36 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 111484023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).