4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide

C25H35N3O4 — CID 17296274

IUPAC4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H35N3O4/c1-4-31-22-12-8-20(9-13-22)24(29)26-16-6-18-28(3)19-7-17-27-25(30)21-10-14-23(15-11-21)32-5-2/h8-15H,4-7,16-19H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyHGPXIKGIDHCITN-UHFFFAOYSA-N
MW441.57 g/mol
LogP3.36
Rot. Bonds14

About 4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide

4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide (PubChem CID 17296274) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is 4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
PubChem CID17296274
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H35N3O4/c1-4-31-22-12-8-20(9-13-22)24(29)26-16-6-18-28(3)19-7-17-27-25(30)21-10-14-23(15-11-21)32-5-2/h8-15H,4-7,16-19H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyHGPXIKGIDHCITN-UHFFFAOYSA-N
XLogP3.36
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-4-ethoxybenzamide
CID 4123784
N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide
CID 108572043
4-ethoxy-N-(4-hydroxypentyl)benzamide
CID 107299822
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide
CID 108540579
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
CID 108572051
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39756465

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide?
The IUPAC name of 4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide (CID 17296274) is 4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide is CCOc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide?
The InChIKey is HGPXIKGIDHCITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-4-31-22-12-8-20(9-13-22)24(29)26-16-6-18-28(3)19-7-17-27-25(30)21-10-14-23(15-11-21)32-5-2/h8-15H,4-7,16-19H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide?
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide has a molecular weight of 441.57 g/mol, XLogP of 3.36, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide is sourced from PubChem (CID 17296274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).