2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide

C14H27N3O2 — CID 63286664

IUPAC2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide
SMILESCOCCN(CCC#N)C(C)C(=O)NCCC(C)C
InChIInChI=1S/C14H27N3O2/c1-12(2)6-8-16-14(18)13(3)17(9-5-7-15)10-11-19-4/h12-13H,5-6,8-11H2,1-4H3,(H,16,18)
InChIKeyZWYIYAQVUKPNHH-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.40
Rot. Bonds10

About 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide

2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide (PubChem CID 63286664) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide
PubChem CID63286664
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide
SMILESCOCCN(CCC#N)C(C)C(=O)NCCC(C)C
InChIInChI=1S/C14H27N3O2/c1-12(2)6-8-16-14(18)13(3)17(9-5-7-15)10-11-19-4/h12-13H,5-6,8-11H2,1-4H3,(H,16,18)
InChIKeyZWYIYAQVUKPNHH-UHFFFAOYSA-N
XLogP1.40
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile
CID 64868653
3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile
CID 63285300
2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63224789
2-[2-cyanoethyl(2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103224696
2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 55171324
1-(2-cyanoethyl)-3-(2-methoxyethyl)-1-(2-methylpropyl)thiourea
CID 115570821
3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63286955
3-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285381
3-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 61010363
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide
CID 55261573
N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 63286365
3-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285129

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide (CID 63286664) is 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide is COCCN(CCC#N)C(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide?
The InChIKey is ZWYIYAQVUKPNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(2)6-8-16-14(18)13(3)17(9-5-7-15)10-11-19-4/h12-13H,5-6,8-11H2,1-4H3,(H,16,18).
What are the key properties of 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide?
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide has a molecular weight of 269.39 g/mol, XLogP of 1.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 63286664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).