4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide

C20H22N4O2 — CID 4969204

IUPAC4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-24(2)18(15-6-4-3-5-7-15)14-22-20(26)16-8-10-17(11-9-16)23-19(25)12-13-21/h3-11,18H,12,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMNMGFKKWTVCTCJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.57
Rot. Bonds7

About 4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide

4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide (PubChem CID 4969204) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide
PubChem CID4969204
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-24(2)18(15-6-4-3-5-7-15)14-22-20(26)16-8-10-17(11-9-16)23-19(25)12-13-21/h3-11,18H,12,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMNMGFKKWTVCTCJ-UHFFFAOYSA-N
XLogP2.57
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide?
The IUPAC name of 4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide (CID 4969204) is 4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide.
What is the SMILES notation for 4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide?
The canonical SMILES for 4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide is CN(C)C(CNC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccc1.
What is the InChIKey of 4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide?
The InChIKey is MNMGFKKWTVCTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24(2)18(15-6-4-3-5-7-15)14-22-20(26)16-8-10-17(11-9-16)23-19(25)12-13-21/h3-11,18H,12,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide?
4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanoacetyl)amino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide is sourced from PubChem (CID 4969204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).