N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide

C19H21N3 — CID 11500256

IUPACN-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide
SMILES[H]/N=C(\Cc1ccccc1C)N(C#N)C(C)(C)c1ccccc1
InChIInChI=1S/C19H21N3/c1-15-9-7-8-10-16(15)13-18(21)22(14-20)19(2,3)17-11-5-4-6-12-17/h4-12,21H,13H2,1-3H3/b21-18+
InChIKeyWQYHOIYRSAWGHM-DYTRJAOYSA-N
MW291.40 g/mol
LogP4.23
Rot. Bonds4

About N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide

N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide (PubChem CID 11500256) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide
PubChem CID11500256
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide
SMILES[H]/N=C(\Cc1ccccc1C)N(C#N)C(C)(C)c1ccccc1
InChIInChI=1S/C19H21N3/c1-15-9-7-8-10-16(15)13-18(21)22(14-20)19(2,3)17-11-5-4-6-12-17/h4-12,21H,13H2,1-3H3/b21-18+
InChIKeyWQYHOIYRSAWGHM-DYTRJAOYSA-N
XLogP4.23
TPSA50.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide?
The IUPAC name of N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide (CID 11500256) is N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide.
What is the SMILES notation for N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide?
The canonical SMILES for N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide is [H]/N=C(\Cc1ccccc1C)N(C#N)C(C)(C)c1ccccc1.
What is the InChIKey of N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide?
The InChIKey is WQYHOIYRSAWGHM-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-15-9-7-8-10-16(15)13-18(21)22(14-20)19(2,3)17-11-5-4-6-12-17/h4-12,21H,13H2,1-3H3/b21-18+.
What are the key properties of N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide?
N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide has a molecular weight of 291.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-(2-methylphenyl)-N-(2-phenylpropan-2-yl)ethanimidamide is sourced from PubChem (CID 11500256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).