3-hydroxy-2,2-dimethyl-N-propylpropanamide

C8H17NO2 — CID 58461027

IUPAC3-hydroxy-2,2-dimethyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)CO
InChIInChI=1S/C8H17NO2/c1-4-5-9-7(11)8(2,3)6-10/h10H,4-6H2,1-3H3,(H,9,11)
InChIKeyPLXAWTRZKLDSEF-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.53
Rot. Bonds4

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

3-hydroxy-2,2-dimethyl-N-propylpropanamide (PubChem CID 58461027) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-N-propylpropanamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-N-propylpropanamide
PubChem CID58461027
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-hydroxy-2,2-dimethyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)CO
InChIInChI=1S/C8H17NO2/c1-4-5-9-7(11)8(2,3)6-10/h10H,4-6H2,1-3H3,(H,9,11)
InChIKeyPLXAWTRZKLDSEF-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
2,2,4,4-tetramethyl-N-propylpentanamide
CID 144742473
2,2-dimethyl-3-propoxy-N-propylpropanamide
CID 164771846
2-methyl-2-(methylamino)-N-propylpropanamide
CID 21365766
2,2,4,4-tetramethyl-N-propylhex-5-ynamide
CID 167115818
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
N-propyl-2,2-bis(trifluoromethyl)butanamide
CID 71671965
2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide
CID 108956970
propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
CID 103822806
(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate
CID 54453185

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-N-propylpropanamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-N-propylpropanamide (CID 58461027) is 3-hydroxy-2,2-dimethyl-N-propylpropanamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-N-propylpropanamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-N-propylpropanamide is CCCNC(=O)C(C)(C)CO.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-N-propylpropanamide?
The InChIKey is PLXAWTRZKLDSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-9-7(11)8(2,3)6-10/h10H,4-6H2,1-3H3,(H,9,11).
What are the key properties of 3-hydroxy-2,2-dimethyl-N-propylpropanamide?
3-hydroxy-2,2-dimethyl-N-propylpropanamide has a molecular weight of 159.23 g/mol, XLogP of 0.53, 4 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-propylpropanamide is sourced from PubChem (CID 58461027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).