N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide

C9H15NO3 — CID 106741532

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
SMILESCC#CC(=O)N(C)CC(O)COC
InChIInChI=1S/C9H15NO3/c1-4-5-9(12)10(2)6-8(11)7-13-3/h8,11H,6-7H2,1-3H3
InChIKeyIOASLXWZRRMERJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.52
Rot. Bonds4

About N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide

N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide (PubChem CID 106741532) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
PubChem CID106741532
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
SMILESCC#CC(=O)N(C)CC(O)COC
InChIInChI=1S/C9H15NO3/c1-4-5-9(12)10(2)6-8(11)7-13-3/h8,11H,6-7H2,1-3H3
InChIKeyIOASLXWZRRMERJ-UHFFFAOYSA-N
XLogP-0.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide
CID 103310159
N-(2-methoxyethyl)-N-methylbut-2-ynamide
CID 131224472
2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylpropanamide
CID 81089598
2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide
CID 107769331
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,3,3-trimethylbutanamide
CID 76911278
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N,2-dimethylpropanamide
CID 103747204
3-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-oxobutanoic acid
CID 64895957
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide
CID 64678232
N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682
N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide
CID 103908940
2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 114291307
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 79810651

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide (CID 106741532) is N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide is CC#CC(=O)N(C)CC(O)COC.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide?
The InChIKey is IOASLXWZRRMERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-5-9(12)10(2)6-8(11)7-13-3/h8,11H,6-7H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide?
N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide has a molecular weight of 185.22 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide is sourced from PubChem (CID 106741532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).