N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

C15H20N2O2 — CID 78909836

IUPACN-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NCCC#N
InChIInChI=1S/C15H20N2O2/c1-11(2)13-6-5-12(3)14(9-13)19-10-15(18)17-8-4-7-16/h5-6,9,11H,4,8,10H2,1-3H3,(H,17,18)
InChIKeySGMPVLGGNOJFCT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.53
Rot. Bonds6

About N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (PubChem CID 78909836) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
PubChem CID78909836
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NCCC#N
InChIInChI=1S/C15H20N2O2/c1-11(2)13-6-5-12(3)14(9-13)19-10-15(18)17-8-4-7-16/h5-6,9,11H,4,8,10H2,1-3H3,(H,17,18)
InChIKeySGMPVLGGNOJFCT-UHFFFAOYSA-N
XLogP2.53
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)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-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43503845
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 9260247
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 16545149
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 55693733
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2-cyanoethyl)acetamide
CID 78946994
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
CID 8806393
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 177377392
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 78933215
N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24685838
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (CID 78909836) is N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)cc1OCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The InChIKey is SGMPVLGGNOJFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)13-6-5-12(3)14(9-13)19-10-15(18)17-8-4-7-16/h5-6,9,11H,4,8,10H2,1-3H3,(H,17,18).
What are the key properties of N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 78909836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).