3-hydroxy-2,2-dimethyl-N-pentylpropanamide

C10H21NO2 — CID 171795881

IUPAC3-hydroxy-2,2-dimethyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)(C)CO
InChIInChI=1S/C10H21NO2/c1-4-5-6-7-11-9(13)10(2,3)8-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKeyXTERQWLQNGGNIO-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.31
Rot. Bonds6

About 3-hydroxy-2,2-dimethyl-N-pentylpropanamide

3-hydroxy-2,2-dimethyl-N-pentylpropanamide (PubChem CID 171795881) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-N-pentylpropanamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-N-pentylpropanamide
PubChem CID171795881
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-hydroxy-2,2-dimethyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)(C)CO
InChIInChI=1S/C10H21NO2/c1-4-5-6-7-11-9(13)10(2,3)8-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKeyXTERQWLQNGGNIO-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
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-octylhexanamide
CID 178052018
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2,2-dichloro-N-pentylpropanamide
CID 12827689
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
CID 135363819
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
2,2,2-trichloro-N-dodecylacetamide
CID 4986291
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
CID 79796676

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-N-pentylpropanamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-N-pentylpropanamide (CID 171795881) is 3-hydroxy-2,2-dimethyl-N-pentylpropanamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-N-pentylpropanamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-N-pentylpropanamide is CCCCCNC(=O)C(C)(C)CO.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-N-pentylpropanamide?
The InChIKey is XTERQWLQNGGNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-6-7-11-9(13)10(2,3)8-12/h12H,4-8H2,1-3H3,(H,11,13).
What are the key properties of 3-hydroxy-2,2-dimethyl-N-pentylpropanamide?
3-hydroxy-2,2-dimethyl-N-pentylpropanamide has a molecular weight of 187.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-N-pentylpropanamide is sourced from PubChem (CID 171795881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).