4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride

C20H32ClN3O3 — CID 120600670

IUPAC4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NC(C(=O)NC2CCNC(C)C2)C(C)C)cc1.Cl
InChIInChI=1S/C20H31N3O3.ClH/c1-5-26-17-8-6-15(7-9-17)19(24)23-18(13(2)3)20(25)22-16-10-11-21-14(4)12-16;/h6-9,13-14,16,18,21H,5,10-12H2,1-4H3,(H,22,25)(H,23,24);1H
InChIKeyFVRPUBSKJYNTOL-UHFFFAOYSA-N
MW397.95 g/mol
LogP2.52
Rot. Bonds7

About 4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride

4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride (PubChem CID 120600670) has the molecular formula C20H32ClN3O3 and a molecular weight of 397.95 g/mol. Its IUPAC name is 4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride
PubChem CID120600670
Molecular FormulaC20H32ClN3O3
Molecular Weight397.95 g/mol
Exact Mass397.21
IUPAC Name4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NC(C(=O)NC2CCNC(C)C2)C(C)C)cc1.Cl
InChIInChI=1S/C20H31N3O3.ClH/c1-5-26-17-8-6-15(7-9-17)19(24)23-18(13(2)3)20(25)22-16-10-11-21-14(4)12-16;/h6-9,13-14,16,18,21H,5,10-12H2,1-4H3,(H,22,25)(H,23,24);1H
InChIKeyFVRPUBSKJYNTOL-UHFFFAOYSA-N
XLogP2.52
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride with MolForge

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Related Compounds

N-[(2R)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 26918649
4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide
CID 120598886
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598414
[1-(cyclohexylamino)-1-oxopropan-2-yl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55925700
4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119537745
4-ethoxy-N-[3-methyl-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 119503972
4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 78856899
(2S)-2-[[2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 119943039
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601431
methyl 1-[[2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]-4-methylcyclohexane-1-carboxylate
CID 55808917

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride?
The IUPAC name of 4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride (CID 120600670) is 4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride is CCOc1ccc(C(=O)NC(C(=O)NC2CCNC(C)C2)C(C)C)cc1.Cl.
What is the InChIKey of 4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride?
The InChIKey is FVRPUBSKJYNTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3.ClH/c1-5-26-17-8-6-15(7-9-17)19(24)23-18(13(2)3)20(25)22-16-10-11-21-14(4)12-16;/h6-9,13-14,16,18,21H,5,10-12H2,1-4H3,(H,22,25)(H,23,24);1H.
What are the key properties of 4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride?
4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 120600670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).