2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide

C13H14N4O — CID 106312020

IUPAC2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)N(CC#N)CC#N)cc1
InChIInChI=1S/C13H14N4O/c1-10-2-4-11(5-3-10)12(16)13(18)17(8-6-14)9-7-15/h2-5,12H,8-9,16H2,1H3
InChIKeyDXXZWMYGULIPLP-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.87
Rot. Bonds4

About 2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide

2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide (PubChem CID 106312020) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide
PubChem CID106312020
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)N(CC#N)CC#N)cc1
InChIInChI=1S/C13H14N4O/c1-10-2-4-11(5-3-10)12(16)13(18)17(8-6-14)9-7-15/h2-5,12H,8-9,16H2,1H3
InChIKeyDXXZWMYGULIPLP-UHFFFAOYSA-N
XLogP0.87
TPSA93.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)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-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide
CID 114172115
2-amino-N-methyl-2-(4-methylphenyl)-N-pentan-3-ylacetamide
CID 114172087
2-amino-N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666531
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide
CID 106312194
2-amino-N-methyl-2-(4-methylphenyl)-N-propylacetamide
CID 106151263
2-amino-N-butan-2-yl-N-ethyl-2-(4-methylphenyl)acetamide
CID 106312072
2-amino-N-(cyclopropylmethyl)-N-ethyl-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668472
2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 106312218
2-amino-N-methyl-N-(2-methylbutyl)-2-(4-methylphenyl)acetamide
CID 106151480
2-amino-N-methyl-N-(2-methylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668393
2-amino-N-(1-cyanobutan-2-yl)-2-(4-methylphenyl)acetamide
CID 106312349
2-amino-N-methyl-2-(4-methylphenyl)-N-pentylacetamide
CID 106312073

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide (CID 106312020) is 2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)N(CC#N)CC#N)cc1.
What is the InChIKey of 2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide?
The InChIKey is DXXZWMYGULIPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-10-2-4-11(5-3-10)12(16)13(18)17(8-6-14)9-7-15/h2-5,12H,8-9,16H2,1H3.
What are the key properties of 2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide?
2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide has a molecular weight of 242.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106312020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).