2,2-dimethyl-3-propoxy-N-propylpropanamide

C11H23NO2 — CID 164771846

IUPAC2,2-dimethyl-3-propoxy-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)COCCC
InChIInChI=1S/C11H23NO2/c1-5-7-12-10(13)11(3,4)9-14-8-6-2/h5-9H2,1-4H3,(H,12,13)
InChIKeyJJLREQJRFMNNKS-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.97
Rot. Bonds7

About 2,2-dimethyl-3-propoxy-N-propylpropanamide

2,2-dimethyl-3-propoxy-N-propylpropanamide (PubChem CID 164771846) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-propoxy-N-propylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-propoxy-N-propylpropanamide
PubChem CID164771846
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2,2-dimethyl-3-propoxy-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)COCCC
InChIInChI=1S/C11H23NO2/c1-5-7-12-10(13)11(3,4)9-14-8-6-2/h5-9H2,1-4H3,(H,12,13)
InChIKeyJJLREQJRFMNNKS-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2,2-dimethyl-N-propylpropanamide
CID 58461027
2,2,4,4-tetramethyl-N-propylpentanamide
CID 144742473
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
ethane;3-propoxy-N-propylpropanamide
CID 163269237
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide
CID 162756252
N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen
CID 176679206
N-(2-butoxyethyl)-2-methyl-2-(methylamino)propanamide
CID 62847103
3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 177062543
3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide
CID 178049904
2-methyl-2-(methylamino)-N-propylpropanamide
CID 21365766
2,2,4,4-tetramethyl-N-propylhex-5-ynamide
CID 167115818

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-propoxy-N-propylpropanamide?
The IUPAC name of 2,2-dimethyl-3-propoxy-N-propylpropanamide (CID 164771846) is 2,2-dimethyl-3-propoxy-N-propylpropanamide.
What is the SMILES notation for 2,2-dimethyl-3-propoxy-N-propylpropanamide?
The canonical SMILES for 2,2-dimethyl-3-propoxy-N-propylpropanamide is CCCNC(=O)C(C)(C)COCCC.
What is the InChIKey of 2,2-dimethyl-3-propoxy-N-propylpropanamide?
The InChIKey is JJLREQJRFMNNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-12-10(13)11(3,4)9-14-8-6-2/h5-9H2,1-4H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-propoxy-N-propylpropanamide?
2,2-dimethyl-3-propoxy-N-propylpropanamide has a molecular weight of 201.31 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-propoxy-N-propylpropanamide is sourced from PubChem (CID 164771846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).