N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide

C25H34N4O2 — CID 8596359

IUPACN,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C25H34N4O2/c1-4-29(5-2)25(31)21-11-8-12-23(17-21)26-24(30)19-28-15-13-27(14-16-28)18-22-10-7-6-9-20(22)3/h6-12,17H,4-5,13-16,18-19H2,1-3H3,(H,26,30)
InChIKeyRHFDJGCEVBMEOO-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.23
Rot. Bonds8

About N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide

N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 8596359) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
PubChem CID8596359
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C25H34N4O2/c1-4-29(5-2)25(31)21-11-8-12-23(17-21)26-24(30)19-28-15-13-27(14-16-28)18-22-10-7-6-9-20(22)3/h6-12,17H,4-5,13-16,18-19H2,1-3H3,(H,26,30)
InChIKeyRHFDJGCEVBMEOO-UHFFFAOYSA-N
XLogP3.23
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide
CID 32610918
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418
3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide
CID 46614906
tert-butyl 4-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperazine-1-carboxylate
CID 34197048
3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide
CID 26666862
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 30723158
ethyl 4-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate
CID 9257552
N,N-diethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164133
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8719414
N-(2,5-dimethylpyrazol-3-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 33019725
N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 9257290

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide (CID 8596359) is N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(Cc3ccccc3C)CC2)c1.
What is the InChIKey of N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is RHFDJGCEVBMEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-4-29(5-2)25(31)21-11-8-12-23(17-21)26-24(30)19-28-15-13-27(14-16-28)18-22-10-7-6-9-20(22)3/h6-12,17H,4-5,13-16,18-19H2,1-3H3,(H,26,30).
What are the key properties of N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 422.57 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 8596359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).