N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide

C12H20N2O2 — CID 107990936

IUPACN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide
SMILESCC#CC(=O)N(CCOC)CC1CCCN1
InChIInChI=1S/C12H20N2O2/c1-3-5-12(15)14(8-9-16-2)10-11-6-4-7-13-11/h11,13H,4,6-10H2,1-2H3
InChIKeyJIMQTXVYPAZJFY-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.24
Rot. Bonds5

About N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide (PubChem CID 107990936) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide
PubChem CID107990936
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide
SMILESCC#CC(=O)N(CCOC)CC1CCCN1
InChIInChI=1S/C12H20N2O2/c1-3-5-12(15)14(8-9-16-2)10-11-6-4-7-13-11/h11,13H,4,6-10H2,1-2H3
InChIKeyJIMQTXVYPAZJFY-UHFFFAOYSA-N
XLogP0.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.24
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

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
2-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611787
N-(2-methoxyethyl)-2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
CID 106611549
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
2-chloro-5-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611521
2,6-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611526
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea
CID 106613461
N-(2-methoxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106611455
2-[2-methoxyethyl-(2-pyrrolidin-2-ylacetyl)amino]acetic acid
CID 79271684
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611571

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide?
The IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide (CID 107990936) is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide is CC#CC(=O)N(CCOC)CC1CCCN1.
What is the InChIKey of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide?
The InChIKey is JIMQTXVYPAZJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-5-12(15)14(8-9-16-2)10-11-6-4-7-13-11/h11,13H,4,6-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide?
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide has a molecular weight of 224.30 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide is sourced from PubChem (CID 107990936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).