N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide

C23H30N3O3+ — CID 9206565

IUPACN-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1
InChIInChI=1S/C23H29N3O3/c1-17(2)16-29-21-11-7-5-9-19(21)22(27)24-20-10-6-4-8-18(20)23(28)26-14-12-25(3)13-15-26/h4-11,17H,12-16H2,1-3H3,(H,24,27)/p+1
InChIKeyWWVDHTSVGZBQHN-UHFFFAOYSA-O
MW396.51 g/mol
LogP1.94
Rot. Bonds6

About N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide

N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide (PubChem CID 9206565) has the molecular formula C23H30N3O3+ and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide
PubChem CID9206565
Molecular FormulaC23H30N3O3+
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC NameN-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1
InChIInChI=1S/C23H29N3O3/c1-17(2)16-29-21-11-7-5-9-19(21)22(27)24-20-10-6-4-8-18(20)23(28)26-14-12-25(3)13-15-26/h4-11,17H,12-16H2,1-3H3,(H,24,27)/p+1
InChIKeyWWVDHTSVGZBQHN-UHFFFAOYSA-O
XLogP1.94
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2-methylpropoxy)benzoyl]amino]benzamide
CID 4945319
3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 7258591
4-fluoro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 6920712
2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401
2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4943602
2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 17256713
2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide
CID 7126525
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4941081
(2S)-2-(4-ethylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]propanamide
CID 9237169
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275877
3-chloro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 7258590

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide (CID 9206565) is N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide is CC(C)COc1ccccc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is WWVDHTSVGZBQHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H29N3O3/c1-17(2)16-29-21-11-7-5-9-19(21)22(27)24-20-10-6-4-8-18(20)23(28)26-14-12-25(3)13-15-26/h4-11,17H,12-16H2,1-3H3,(H,24,27)/p+1.
What are the key properties of N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide?
N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 396.51 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 9206565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).