N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide

C13H27NO3 — CID 106353241

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H27NO3/c1-5-9-17-10-7-12(16)14-11(6-8-15)13(2,3)4/h11,15H,5-10H2,1-4H3,(H,14,16)
InChIKeyANFXBLBGXUNMSD-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.72
Rot. Bonds8

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide (PubChem CID 106353241) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide
PubChem CID106353241
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H27NO3/c1-5-9-17-10-7-12(16)14-11(6-8-15)13(2,3)4/h11,15H,5-10H2,1-4H3,(H,14,16)
InChIKeyANFXBLBGXUNMSD-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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

2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349960
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-piperidin-4-yloxypropanamide
CID 106349871
(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
CID 80750974
6-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4,4-dimethylhexanamide
CID 106350089
3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 103940851
(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
N-(1-aminopentan-2-yl)-3-propoxypropanamide
CID 65191210
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
3-(3-propoxypropanoylamino)butanoic acid
CID 62686783
2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid
CID 106348531
N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide (CID 106353241) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide is CCCOCCC(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide?
The InChIKey is ANFXBLBGXUNMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-9-17-10-7-12(16)14-11(6-8-15)13(2,3)4/h11,15H,5-10H2,1-4H3,(H,14,16).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide has a molecular weight of 245.36 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide is sourced from PubChem (CID 106353241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).