N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide

C14H25N3O — CID 113223487

IUPACN-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide
SMILESCC(C)CCN(CC(=O)N(C)CCC#N)C1CC1
InChIInChI=1S/C14H25N3O/c1-12(2)7-10-17(13-5-6-13)11-14(18)16(3)9-4-8-15/h12-13H,4-7,9-11H2,1-3H3
InChIKeyMDSPMDHELXTOHI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.87
Rot. Bonds8

About N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide

N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide (PubChem CID 113223487) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide
PubChem CID113223487
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide
SMILESCC(C)CCN(CC(=O)N(C)CCC#N)C1CC1
InChIInChI=1S/C14H25N3O/c1-12(2)7-10-17(13-5-6-13)11-14(18)16(3)9-4-8-15/h12-13H,4-7,9-11H2,1-3H3
InChIKeyMDSPMDHELXTOHI-UHFFFAOYSA-N
XLogP1.87
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
CID 55011427
N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
CID 54983448
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
CID 55219777
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301635
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide
CID 55149424
4-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]benzonitrile
CID 78974112
N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
CID 112692197
N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide
CID 102848562
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide (CID 113223487) is N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide is CC(C)CCN(CC(=O)N(C)CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide?
The InChIKey is MDSPMDHELXTOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)7-10-17(13-5-6-13)11-14(18)16(3)9-4-8-15/h12-13H,4-7,9-11H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide?
N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide has a molecular weight of 251.37 g/mol, XLogP of 1.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide is sourced from PubChem (CID 113223487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).