3-(3-hydroxypropylimino)-2-methylpropanamide

C7H14N2O2 — CID 123621342

IUPAC3-(3-hydroxypropylimino)-2-methylpropanamide
SMILESCC(/C=N/CCCO)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-6(7(8)11)5-9-3-2-4-10/h5-6,10H,2-4H2,1H3,(H2,8,11)/b9-5+
InChIKeyOYONNNALIRABPP-WEVVVXLNSA-N
MW158.20 g/mol
LogP-0.44
Rot. Bonds5

About 3-(3-hydroxypropylimino)-2-methylpropanamide

3-(3-hydroxypropylimino)-2-methylpropanamide (PubChem CID 123621342) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(3-hydroxypropylimino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3-hydroxypropylimino)-2-methylpropanamide
PubChem CID123621342
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-(3-hydroxypropylimino)-2-methylpropanamide
SMILESCC(/C=N/CCCO)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-6(7(8)11)5-9-3-2-4-10/h5-6,10H,2-4H2,1H3,(H2,8,11)/b9-5+
InChIKeyOYONNNALIRABPP-WEVVVXLNSA-N
XLogP-0.44
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-propyliminopropanamide
CID 90834535
3-(2-hydroxyethylimino)-2-methylpropanoic acid
CID 56628416
ethyl 3-butylimino-2-methylpropanoate
CID 57183521
butan-1-ol;ethane;2-methylpropanamide
CID 142541326
3-(3,3-dimethylbutylimino)-2-methylpropanoic acid
CID 91526512
2-(3-hydroxypropylamino)propanamide
CID 43392787
ethane-1,2-diol;2-fluoropropanamide
CID 175562566
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
2-(3-hydroxypropylamino)-3-methylbutanamide
CID 103914237
2-methylpropanamide;bis(propan-2-one)
CID 174404145
5-hydroxy-2-propylpentanamide
CID 21402979
2-ethyl-5-hydroxypentanamide
CID 21402948

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropylimino)-2-methylpropanamide?
The IUPAC name of 3-(3-hydroxypropylimino)-2-methylpropanamide (CID 123621342) is 3-(3-hydroxypropylimino)-2-methylpropanamide.
What is the SMILES notation for 3-(3-hydroxypropylimino)-2-methylpropanamide?
The canonical SMILES for 3-(3-hydroxypropylimino)-2-methylpropanamide is CC(/C=N/CCCO)C(N)=O.
What is the InChIKey of 3-(3-hydroxypropylimino)-2-methylpropanamide?
The InChIKey is OYONNNALIRABPP-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(7(8)11)5-9-3-2-4-10/h5-6,10H,2-4H2,1H3,(H2,8,11)/b9-5+.
What are the key properties of 3-(3-hydroxypropylimino)-2-methylpropanamide?
3-(3-hydroxypropylimino)-2-methylpropanamide has a molecular weight of 158.20 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropylimino)-2-methylpropanamide is sourced from PubChem (CID 123621342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).