2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride

C20H32ClN3O3 — CID 119531158

IUPAC2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride
SMILESCCCN(C(=O)CCCNC(=O)c1ccccc1OCC)C1CCNC1.Cl
InChIInChI=1S/C20H31N3O3.ClH/c1-3-14-23(16-11-13-21-15-16)19(24)10-7-12-22-20(25)17-8-5-6-9-18(17)26-4-2;/h5-6,8-9,16,21H,3-4,7,10-15H2,1-2H3,(H,22,25);1H
InChIKeyVGUIVSOIRUOKCV-UHFFFAOYSA-N
MW397.95 g/mol
LogP2.62
Rot. Bonds10

About 2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride

2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride (PubChem CID 119531158) has the molecular formula C20H32ClN3O3 and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride
PubChem CID119531158
Molecular FormulaC20H32ClN3O3
Molecular Weight397.95 g/mol
Exact Mass397.21
IUPAC Name2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride
SMILESCCCN(C(=O)CCCNC(=O)c1ccccc1OCC)C1CCNC1.Cl
InChIInChI=1S/C20H31N3O3.ClH/c1-3-14-23(16-11-13-21-15-16)19(24)10-7-12-22-20(25)17-8-5-6-9-18(17)26-4-2;/h5-6,8-9,16,21H,3-4,7,10-15H2,1-2H3,(H,22,25);1H
InChIKeyVGUIVSOIRUOKCV-UHFFFAOYSA-N
XLogP2.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide
CID 119442533
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119426258
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride
CID 119532455
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119554526
2-(2-ethoxyphenoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389301
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
CID 119446636

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride (CID 119531158) is 2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride is CCCN(C(=O)CCCNC(=O)c1ccccc1OCC)C1CCNC1.Cl.
What is the InChIKey of 2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride?
The InChIKey is VGUIVSOIRUOKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3.ClH/c1-3-14-23(16-11-13-21-15-16)19(24)10-7-12-22-20(25)17-8-5-6-9-18(17)26-4-2;/h5-6,8-9,16,21H,3-4,7,10-15H2,1-2H3,(H,22,25);1H.
What are the key properties of 2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride?
2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride is sourced from PubChem (CID 119531158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).