2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride

C17H28ClN3O3 — CID 119429462

IUPAC2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride
SMILESCNCCCNC(=O)C(NC(=O)c1ccccc1OC)C(C)C.Cl
InChIInChI=1S/C17H27N3O3.ClH/c1-12(2)15(17(22)19-11-7-10-18-3)20-16(21)13-8-5-6-9-14(13)23-4;/h5-6,8-9,12,15,18H,7,10-11H2,1-4H3,(H,19,22)(H,20,21);1H
InChIKeyXVYNZOZNPMEPNZ-UHFFFAOYSA-N
MW357.88 g/mol
LogP1.60
Rot. Bonds9

About 2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride

2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride (PubChem CID 119429462) has the molecular formula C17H28ClN3O3 and a molecular weight of 357.88 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride
PubChem CID119429462
Molecular FormulaC17H28ClN3O3
Molecular Weight357.88 g/mol
Exact Mass357.18
IUPAC Name2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride
SMILESCNCCCNC(=O)C(NC(=O)c1ccccc1OC)C(C)C.Cl
InChIInChI=1S/C17H27N3O3.ClH/c1-12(2)15(17(22)19-11-7-10-18-3)20-16(21)13-8-5-6-9-14(13)23-4;/h5-6,8-9,12,15,18H,7,10-11H2,1-4H3,(H,19,22)(H,20,21);1H
InChIKeyXVYNZOZNPMEPNZ-UHFFFAOYSA-N
XLogP1.60
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
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N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
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N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
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2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
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2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
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4-fluoro-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119431360
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
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N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride?
The IUPAC name of 2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride (CID 119429462) is 2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride is CNCCCNC(=O)C(NC(=O)c1ccccc1OC)C(C)C.Cl.
What is the InChIKey of 2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride?
The InChIKey is XVYNZOZNPMEPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.ClH/c1-12(2)15(17(22)19-11-7-10-18-3)20-16(21)13-8-5-6-9-14(13)23-4;/h5-6,8-9,12,15,18H,7,10-11H2,1-4H3,(H,19,22)(H,20,21);1H.
What are the key properties of 2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride?
2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride has a molecular weight of 357.88 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119429462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).