N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide

C11H21N3O3 — CID 114164681

IUPACN-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
SMILESCOCCC(C)(O)CNCC(=O)NCCC#N
InChIInChI=1S/C11H21N3O3/c1-11(16,4-7-17-2)9-13-8-10(15)14-6-3-5-12/h13,16H,3-4,6-9H2,1-2H3,(H,14,15)
InChIKeyIUWWRRDPQFOCSD-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.61
Rot. Bonds9

About N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide

N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide (PubChem CID 114164681) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
PubChem CID114164681
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
SMILESCOCCC(C)(O)CNCC(=O)NCCC#N
InChIInChI=1S/C11H21N3O3/c1-11(16,4-7-17-2)9-13-8-10(15)14-6-3-5-12/h13,16H,3-4,6-9H2,1-2H3,(H,14,15)
InChIKeyIUWWRRDPQFOCSD-UHFFFAOYSA-N
XLogP-0.61
TPSA94.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide
CID 66185310
N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide
CID 60975251
3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 114167383
N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572608
2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 114125368
N-(2-cyanoethyl)-2-methoxyacetamide
CID 60668880
N-(2-methoxyethyl)-2-[(2-methoxy-2-methylpropyl)amino]acetamide
CID 104760634
N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide
CID 106249974
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide
CID 106255019
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
CID 106255250

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide (CID 114164681) is N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide is COCCC(C)(O)CNCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide?
The InChIKey is IUWWRRDPQFOCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(16,4-7-17-2)9-13-8-10(15)14-6-3-5-12/h13,16H,3-4,6-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide?
N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide has a molecular weight of 243.31 g/mol, XLogP of -0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide is sourced from PubChem (CID 114164681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).