N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide

C24H34N4O — CID 43956742

IUPACN-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1C
InChIInChI=1S/C24H34N4O/c1-18-6-7-21(16-19(18)2)24(29)25-17-23(28-14-12-27(5)13-15-28)20-8-10-22(11-9-20)26(3)4/h6-11,16,23H,12-15,17H2,1-5H3,(H,25,29)
InChIKeyYLVMZEJOBLZULE-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.09
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide

N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide (PubChem CID 43956742) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide
PubChem CID43956742
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1C
InChIInChI=1S/C24H34N4O/c1-18-6-7-21(16-19(18)2)24(29)25-17-23(28-14-12-27(5)13-15-28)20-8-10-22(11-9-20)26(3)4/h6-11,16,23H,12-15,17H2,1-5H3,(H,25,29)
InChIKeyYLVMZEJOBLZULE-UHFFFAOYSA-N
XLogP3.09
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide (CID 43956742) is N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1C.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide?
The InChIKey is YLVMZEJOBLZULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-18-6-7-21(16-19(18)2)24(29)25-17-23(28-14-12-27(5)13-15-28)20-8-10-22(11-9-20)26(3)4/h6-11,16,23H,12-15,17H2,1-5H3,(H,25,29).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide?
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide has a molecular weight of 394.56 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 43956742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).