4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide

C24H33N5O2 — CID 78831358

IUPAC4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)NCCN(C)c2ccccc2)CC1
InChIInChI=1S/C24H33N5O2/c1-19-8-7-9-20(2)23(19)26-22(30)18-28-14-16-29(17-15-28)24(31)25-12-13-27(3)21-10-5-4-6-11-21/h4-11H,12-18H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyCQZMTMWDBXXXOZ-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.71
Rot. Bonds7

About 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide

4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide (PubChem CID 78831358) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide
PubChem CID78831358
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)NCCN(C)c2ccccc2)CC1
InChIInChI=1S/C24H33N5O2/c1-19-8-7-9-20(2)23(19)26-22(30)18-28-14-16-29(17-15-28)24(31)25-12-13-27(3)21-10-5-4-6-11-21/h4-11H,12-18H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyCQZMTMWDBXXXOZ-UHFFFAOYSA-N
XLogP2.71
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide (CID 78831358) is 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide is Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)NCCN(C)c2ccccc2)CC1.
What is the InChIKey of 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide?
The InChIKey is CQZMTMWDBXXXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-19-8-7-9-20(2)23(19)26-22(30)18-28-14-16-29(17-15-28)24(31)25-12-13-27(3)21-10-5-4-6-11-21/h4-11H,12-18H2,1-3H3,(H,25,31)(H,26,30).
What are the key properties of 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide?
4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 78831358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).