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

C19H30N4O2 — CID 32610918

IUPACN,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide
SMILESCCN1CCN(CC(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1
InChIInChI=1S/C19H30N4O2/c1-4-21-10-12-22(13-11-21)15-18(24)20-17-9-7-8-16(14-17)19(25)23(5-2)6-3/h7-9,14H,4-6,10-13,15H2,1-3H3,(H,20,24)
InChIKeyLIJKWAHJHPOWGO-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.74
Rot. Bonds7

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

N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide (PubChem CID 32610918) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide
PubChem CID32610918
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide
SMILESCCN1CCN(CC(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1
InChIInChI=1S/C19H30N4O2/c1-4-21-10-12-22(13-11-21)15-18(24)20-17-9-7-8-16(14-17)19(25)23(5-2)6-3/h7-9,14H,4-6,10-13,15H2,1-3H3,(H,20,24)
InChIKeyLIJKWAHJHPOWGO-UHFFFAOYSA-N
XLogP1.74
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8596359
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
3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide
CID 46614906
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
N,N-diethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78913226
N,N-diethyl-3-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide
CID 9000797
N,N-diethyl-3-[[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzamide
CID 51227430
N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 86924989
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide (CID 32610918) is N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide is CCN1CCN(CC(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1.
What is the InChIKey of N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide?
The InChIKey is LIJKWAHJHPOWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-21-10-12-22(13-11-21)15-18(24)20-17-9-7-8-16(14-17)19(25)23(5-2)6-3/h7-9,14H,4-6,10-13,15H2,1-3H3,(H,20,24).
What are the key properties of N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide?
N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide has a molecular weight of 346.48 g/mol, XLogP of 1.74, 7 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-ethylpiperazin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 32610918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).