2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride

C19H31ClN4O3 — CID 119446636

IUPAC2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C19H30N4O3.ClH/c1-2-26-17-7-4-3-6-16(17)19(25)22-9-5-8-18(24)21-12-15-23-13-10-20-11-14-23;/h3-4,6-7,20H,2,5,8-15H2,1H3,(H,21,24)(H,22,25);1H
InChIKeyMMUJNQSTTNPFIG-UHFFFAOYSA-N
MW398.94 g/mol
LogP1.04
Rot. Bonds10

About 2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride

2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride (PubChem CID 119446636) has the molecular formula C19H31ClN4O3 and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
PubChem CID119446636
Molecular FormulaC19H31ClN4O3
Molecular Weight398.94 g/mol
Exact Mass398.21
IUPAC Name2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C19H30N4O3.ClH/c1-2-26-17-7-4-3-6-16(17)19(25)22-9-5-8-18(24)21-12-15-23-13-10-20-11-14-23;/h3-4,6-7,20H,2,5,8-15H2,1H3,(H,21,24)(H,22,25);1H
InChIKeyMMUJNQSTTNPFIG-UHFFFAOYSA-N
XLogP1.04
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119426258
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide
CID 119442533
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 36841911
3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446350
2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393698

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride (CID 119446636) is 2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride is CCOc1ccccc1C(=O)NCCCC(=O)NCCN1CCNCC1.Cl.
What is the InChIKey of 2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride?
The InChIKey is MMUJNQSTTNPFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3.ClH/c1-2-26-17-7-4-3-6-16(17)19(25)22-9-5-8-18(24)21-12-15-23-13-10-20-11-14-23;/h3-4,6-7,20H,2,5,8-15H2,1H3,(H,21,24)(H,22,25);1H.
What are the key properties of 2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride?
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 1.04, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride is sourced from PubChem (CID 119446636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).