2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide

C12H23N3O3 — CID 60672925

IUPAC2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide
SMILESCOCCN(CCOC)CC(=O)N(C)CCC#N
InChIInChI=1S/C12H23N3O3/c1-14(6-4-5-13)12(16)11-15(7-9-17-2)8-10-18-3/h4,6-11H2,1-3H3
InChIKeyIAQNDIDCTSBZOD-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.05
Rot. Bonds10

About 2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide

2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 60672925) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID60672925
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide
SMILESCOCCN(CCOC)CC(=O)N(C)CCC#N
InChIInChI=1S/C12H23N3O3/c1-14(6-4-5-13)12(16)11-15(7-9-17-2)8-10-18-3/h4,6-11H2,1-3H3
InChIKeyIAQNDIDCTSBZOD-UHFFFAOYSA-N
XLogP-0.05
TPSA65.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61012153
propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate
CID 63285599
N-(2-cyanoethyl)-2-(2-methoxyethylsulfonyl)-N-methylacetamide
CID 61210411
N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 63286365
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426059
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide
CID 63286666
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide (CID 60672925) is 2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide is COCCN(CCOC)CC(=O)N(C)CCC#N.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is IAQNDIDCTSBZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-14(6-4-5-13)12(16)11-15(7-9-17-2)8-10-18-3/h4,6-11H2,1-3H3.
What are the key properties of 2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide?
2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 257.33 g/mol, XLogP of -0.05, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 60672925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).