N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide

C12H21NO3 — CID 103908940

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide
SMILESC#CCCCCC(=O)N(C)CC(O)COC
InChIInChI=1S/C12H21NO3/c1-4-5-6-7-8-12(15)13(2)9-11(14)10-16-3/h1,11,14H,5-10H2,2-3H3
InChIKeyZCZXUQGXZIXZAR-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.65
Rot. Bonds8

About N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide

N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide (PubChem CID 103908940) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide
PubChem CID103908940
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide
SMILESC#CCCCCC(=O)N(C)CC(O)COC
InChIInChI=1S/C12H21NO3/c1-4-5-6-7-8-12(15)13(2)9-11(14)10-16-3/h1,11,14H,5-10H2,2-3H3
InChIKeyZCZXUQGXZIXZAR-UHFFFAOYSA-N
XLogP0.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682
4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide
CID 54993673
N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
CID 79543922
N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide
CID 103915679
N-(2-bromo-3-methoxypropyl)-N-methyldecanamide
CID 80671744
N-(2-amino-3-methoxypropyl)-N-methylheptanamide
CID 114754106
N-(5-hydroxypentyl)-N-methylhept-6-ynamide
CID 107300861
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide
CID 64678232
N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
CID 106741532
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-pyrazol-1-ylpropanamide
CID 54993303
3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide
CID 103310159
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide
CID 158591848

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide (CID 103908940) is N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide is C#CCCCCC(=O)N(C)CC(O)COC.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide?
The InChIKey is ZCZXUQGXZIXZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-5-6-7-8-12(15)13(2)9-11(14)10-16-3/h1,11,14H,5-10H2,2-3H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide?
N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide has a molecular weight of 227.30 g/mol, XLogP of 0.65, 8 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-methylhept-6-ynamide is sourced from PubChem (CID 103908940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).