N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide

C14H25N3O2 — CID 102848562

IUPACN-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCN(CCCO)C1CCC1
InChIInChI=1S/C14H25N3O2/c1-16(9-3-8-15)14(19)7-11-17(10-4-12-18)13-5-2-6-13/h13,18H,2-7,9-12H2,1H3
InChIKeyHOIFAGXRVIZWLT-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.99
Rot. Bonds9

About N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide

N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide (PubChem CID 102848562) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide
PubChem CID102848562
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCN(CCCO)C1CCC1
InChIInChI=1S/C14H25N3O2/c1-16(9-3-8-15)14(19)7-11-17(10-4-12-18)13-5-2-6-13/h13,18H,2-7,9-12H2,1H3
InChIKeyHOIFAGXRVIZWLT-UHFFFAOYSA-N
XLogP0.99
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide
CID 55149424
3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile
CID 62229709
3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile
CID 103738654
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
N-(cyanomethyl)-2-[cyclobutyl(3-hydroxypropyl)amino]acetamide
CID 102848492
N-(2-cyanoethyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide
CID 103895030
N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
CID 55011427
N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide
CID 43585997

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide (CID 102848562) is N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide is CN(CCC#N)C(=O)CCN(CCCO)C1CCC1.
What is the InChIKey of N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide?
The InChIKey is HOIFAGXRVIZWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-16(9-3-8-15)14(19)7-11-17(10-4-12-18)13-5-2-6-13/h13,18H,2-7,9-12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide?
N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide has a molecular weight of 267.37 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide is sourced from PubChem (CID 102848562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).