2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide

C28H40N4O4 — CID 2932757

IUPAC2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCN1CCN(CCCNC(=O)c2ccccc2OCC)CC1
InChIInChI=1S/C28H40N4O4/c1-3-35-25-13-7-5-11-23(25)27(33)29-15-9-17-31-19-21-32(22-20-31)18-10-16-30-28(34)24-12-6-8-14-26(24)36-4-2/h5-8,11-14H,3-4,9-10,15-22H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyIPBCKQQJVHVTAO-UHFFFAOYSA-N
MW496.65 g/mol
LogP3.04
Rot. Bonds14

About 2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide

2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide (PubChem CID 2932757) has the molecular formula C28H40N4O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is 2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
PubChem CID2932757
Molecular FormulaC28H40N4O4
Molecular Weight496.65 g/mol
Exact Mass496.30
IUPAC Name2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCN1CCN(CCCNC(=O)c2ccccc2OCC)CC1
InChIInChI=1S/C28H40N4O4/c1-3-35-25-13-7-5-11-23(25)27(33)29-15-9-17-31-19-21-32(22-20-31)18-10-16-30-28(34)24-12-6-8-14-26(24)36-4-2/h5-8,11-14H,3-4,9-10,15-22H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyIPBCKQQJVHVTAO-UHFFFAOYSA-N
XLogP3.04
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.65
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224182
2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 111433871
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide
CID 55997633
2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660052
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
CID 119446636
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide (CID 2932757) is 2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide is CCOc1ccccc1C(=O)NCCCN1CCN(CCCNC(=O)c2ccccc2OCC)CC1.
What is the InChIKey of 2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
The InChIKey is IPBCKQQJVHVTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O4/c1-3-35-25-13-7-5-11-23(25)27(33)29-15-9-17-31-19-21-32(22-20-31)18-10-16-30-28(34)24-12-6-8-14-26(24)36-4-2/h5-8,11-14H,3-4,9-10,15-22H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of 2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide has a molecular weight of 496.65 g/mol, XLogP of 3.04, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 2932757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).