N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide

C14H18N2O2 — CID 82130690

IUPACN-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N(C)C(C)(C)C#N)cc1
InChIInChI=1S/C14H18N2O2/c1-11-5-7-12(8-6-11)18-9-13(17)16(4)14(2,3)10-15/h5-8H,9H2,1-4H3
InChIKeyTYYWBQPPFSEPDK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.13
Rot. Bonds4

About N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide

N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide (PubChem CID 82130690) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide
PubChem CID82130690
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N(C)C(C)(C)C#N)cc1
InChIInChI=1S/C14H18N2O2/c1-11-5-7-12(8-6-11)18-9-13(17)16(4)14(2,3)10-15/h5-8H,9H2,1-4H3
InChIKeyTYYWBQPPFSEPDK-UHFFFAOYSA-N
XLogP2.13
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)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

[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575022
N-methoxy-N-methyl-2-(4-methylphenoxy)acetamide
CID 59178255
N,N-bis(cyanomethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 60613009
2-[tert-butyl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 79266539
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid
CID 62626374
N-ethyl-2-(4-methylphenoxy)-N-(2-methylprop-2-enyl)acetamide
CID 78762140
2-methyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62817383
2-(4-methylphenoxy)-N-(4-methylphenyl)-N-phenylacetamide
CID 70115450
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200439
N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55580815
2-(4-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 8864519
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide (CID 82130690) is N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N(C)C(C)(C)C#N)cc1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide?
The InChIKey is TYYWBQPPFSEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-5-7-12(8-6-11)18-9-13(17)16(4)14(2,3)10-15/h5-8H,9H2,1-4H3.
What are the key properties of N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide?
N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 82130690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).