N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

C22H36N4O3 — CID 55660238

IUPACN-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCCN1CCN(CCCNC(=O)C(NC(=O)c2ccc(OC)cc2)C(C)C)CC1
InChIInChI=1S/C22H36N4O3/c1-5-25-13-15-26(16-14-25)12-6-11-23-22(28)20(17(2)3)24-21(27)18-7-9-19(29-4)10-8-18/h7-10,17,20H,5-6,11-16H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyPCQHYLAAABKKIH-UHFFFAOYSA-N
MW404.56 g/mol
LogP1.59
Rot. Bonds10

About N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide (PubChem CID 55660238) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
PubChem CID55660238
Molecular FormulaC22H36N4O3
Molecular Weight404.56 g/mol
Exact Mass404.28
IUPAC NameN-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCCN1CCN(CCCNC(=O)C(NC(=O)c2ccc(OC)cc2)C(C)C)CC1
InChIInChI=1S/C22H36N4O3/c1-5-25-13-15-26(16-14-25)12-6-11-23-22(28)20(17(2)3)24-21(27)18-7-9-19(29-4)10-8-18/h7-10,17,20H,5-6,11-16H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyPCQHYLAAABKKIH-UHFFFAOYSA-N
XLogP1.59
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide;hydrochloride
CID 119392270
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3944138
4-ethoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide
CID 119394221
4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221501
2-chloro-N-[(2S)-1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51941916
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
4-chloro-N-[3-methyl-1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 46523639
4-chloro-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide;hydrochloride
CID 119394253
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55619465
4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 42910684
4-ethoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119433829

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide (CID 55660238) is N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide is CCN1CCN(CCCNC(=O)C(NC(=O)c2ccc(OC)cc2)C(C)C)CC1.
What is the InChIKey of N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The InChIKey is PCQHYLAAABKKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-5-25-13-15-26(16-14-25)12-6-11-23-22(28)20(17(2)3)24-21(27)18-7-9-19(29-4)10-8-18/h7-10,17,20H,5-6,11-16H2,1-4H3,(H,23,28)(H,24,27).
What are the key properties of N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide has a molecular weight of 404.56 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 55660238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).