3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide

C21H26N2O4 — CID 4958099

IUPAC3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
SMILESCCOc1cccc(C(=O)NCCCNC(=O)c2cccc(OCC)c2)c1
InChIInChI=1S/C21H26N2O4/c1-3-26-18-10-5-8-16(14-18)20(24)22-12-7-13-23-21(25)17-9-6-11-19(15-17)27-4-2/h5-6,8-11,14-15H,3-4,7,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOAPSYAIUNXHNDQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.03
Rot. Bonds10

About 3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide

3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide (PubChem CID 4958099) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
PubChem CID4958099
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
SMILESCCOc1cccc(C(=O)NCCCNC(=O)c2cccc(OCC)c2)c1
InChIInChI=1S/C21H26N2O4/c1-3-26-18-10-5-8-16(14-18)20(24)22-12-7-13-23-21(25)17-9-6-11-19(15-17)27-4-2/h5-6,8-11,14-15H,3-4,7,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOAPSYAIUNXHNDQ-UHFFFAOYSA-N
XLogP3.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.03
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

3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
CID 119407722
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502998
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid
CID 110495239
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150561
3-(2-ethoxyethoxy)-N-hexadecylbenzamide
CID 17139521
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide?
The IUPAC name of 3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide (CID 4958099) is 3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide is CCOc1cccc(C(=O)NCCCNC(=O)c2cccc(OCC)c2)c1.
What is the InChIKey of 3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide?
The InChIKey is OAPSYAIUNXHNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-26-18-10-5-8-16(14-18)20(24)22-12-7-13-23-21(25)17-9-6-11-19(15-17)27-4-2/h5-6,8-11,14-15H,3-4,7,12-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide?
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide is sourced from PubChem (CID 4958099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).