2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide

C22H28N2O4 — CID 2931287

IUPAC2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCCNC(=O)c1ccccc1OCC
InChIInChI=1S/C22H28N2O4/c1-3-27-19-13-7-5-11-17(19)21(25)23-15-9-10-16-24-22(26)18-12-6-8-14-20(18)28-4-2/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQGRXOHRCNSDPFV-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.42
Rot. Bonds11

About 2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide

2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide (PubChem CID 2931287) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide
PubChem CID2931287
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCCNC(=O)c1ccccc1OCC
InChIInChI=1S/C22H28N2O4/c1-3-27-19-13-7-5-11-17(19)21(25)23-15-9-10-16-24-22(26)18-12-6-8-14-20(18)28-4-2/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQGRXOHRCNSDPFV-UHFFFAOYSA-N
XLogP3.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide (CID 2931287) is 2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide is CCOc1ccccc1C(=O)NCCCCNC(=O)c1ccccc1OCC.
What is the InChIKey of 2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide?
The InChIKey is QGRXOHRCNSDPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-27-19-13-7-5-11-17(19)21(25)23-15-9-10-16-24-22(26)18-12-6-8-14-20(18)28-4-2/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide?
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.42, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]butyl]benzamide is sourced from PubChem (CID 2931287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).