4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide

C19H21N3O — CID 9092269

IUPAC4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide
SMILESCCN(CCNC(=O)c1ccc(C#N)cc1)c1cccc(C)c1
InChIInChI=1S/C19H21N3O/c1-3-22(18-6-4-5-15(2)13-18)12-11-21-19(23)17-9-7-16(14-20)8-10-17/h4-10,13H,3,11-12H2,1-2H3,(H,21,23)
InChIKeySEVZRMKMZKJXIA-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.12
Rot. Bonds6

About 4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide

4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide (PubChem CID 9092269) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide
PubChem CID9092269
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide
SMILESCCN(CCNC(=O)c1ccc(C#N)cc1)c1cccc(C)c1
InChIInChI=1S/C19H21N3O/c1-3-22(18-6-4-5-15(2)13-18)12-11-21-19(23)17-9-7-16(14-20)8-10-17/h4-10,13H,3,11-12H2,1-2H3,(H,21,23)
InChIKeySEVZRMKMZKJXIA-UHFFFAOYSA-N
XLogP3.12
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide (CID 9092269) is 4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide is CCN(CCNC(=O)c1ccc(C#N)cc1)c1cccc(C)c1.
What is the InChIKey of 4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide?
The InChIKey is SEVZRMKMZKJXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-22(18-6-4-5-15(2)13-18)12-11-21-19(23)17-9-7-16(14-20)8-10-17/h4-10,13H,3,11-12H2,1-2H3,(H,21,23).
What are the key properties of 4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide?
4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide has a molecular weight of 307.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide is sourced from PubChem (CID 9092269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).