N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide

C12H21NO3 — CID 103915679

IUPACN-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide
SMILESC#CCCCCC(=O)N(CCO)CCOC
InChIInChI=1S/C12H21NO3/c1-3-4-5-6-7-12(15)13(8-10-14)9-11-16-2/h1,14H,4-11H2,2H3
InChIKeyKDDYDZQFYCNFPQ-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.65
Rot. Bonds9

About N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide

N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide (PubChem CID 103915679) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide
PubChem CID103915679
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide
SMILESC#CCCCCC(=O)N(CCO)CCOC
InChIInChI=1S/C12H21NO3/c1-3-4-5-6-7-12(15)13(8-10-14)9-11-16-2/h1,14H,4-11H2,2H3
InChIKeyKDDYDZQFYCNFPQ-UHFFFAOYSA-N
XLogP0.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 112729251
methyl 3-[ethyl(hept-6-ynoyl)amino]propanoate
CID 103908144
N-(2-hydroxyethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 115772576
3-cyclopentyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 113339851
N-(5-hydroxypentyl)-N-methylhept-6-ynamide
CID 107300861
N-(2-cyanoethyl)-N-(2-methoxyethyl)nonanamide
CID 63237477
N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide
CID 103908940
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 115772430
methyl 3-[2-methoxyethyl(pent-4-ynyl)amino]propanoate
CID 112548452
N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide
CID 78927188
N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103857530
N',N'-bis(2-hydroxyethyl)-N,N-dimethylpentanediamide
CID 169291277

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide (CID 103915679) is N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide is C#CCCCCC(=O)N(CCO)CCOC.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide?
The InChIKey is KDDYDZQFYCNFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-4-5-6-7-12(15)13(8-10-14)9-11-16-2/h1,14H,4-11H2,2H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide?
N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide has a molecular weight of 227.30 g/mol, XLogP of 0.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide is sourced from PubChem (CID 103915679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).