4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide

C15H20N4O2 — CID 43579419

IUPAC4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)N(CCC#N)C(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H20N4O2/c1-11(2)19(9-3-8-16)14(20)10-18-15(21)12-4-6-13(17)7-5-12/h4-7,11H,3,9-10,17H2,1-2H3,(H,18,21)
InChIKeyOYGIGSNQHQEPCA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.15
Rot. Bonds6

About 4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide

4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 43579419) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID43579419
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)N(CCC#N)C(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H20N4O2/c1-11(2)19(9-3-8-16)14(20)10-18-15(21)12-4-6-13(17)7-5-12/h4-7,11H,3,9-10,17H2,1-2H3,(H,18,21)
InChIKeyOYGIGSNQHQEPCA-UHFFFAOYSA-N
XLogP1.15
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide (CID 43579419) is 4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide is CC(C)N(CCC#N)C(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is OYGIGSNQHQEPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)19(9-3-8-16)14(20)10-18-15(21)12-4-6-13(17)7-5-12/h4-7,11H,3,9-10,17H2,1-2H3,(H,18,21).
What are the key properties of 4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide?
4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 43579419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).