N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide

C23H30N2O3 — CID 166187815

IUPACN-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)C(C)c2ccc(CC)cc2)c1
InChIInChI=1S/C23H30N2O3/c1-4-18-10-12-19(13-11-18)17(3)22(26)25-21-9-6-8-20(16-21)23(27)24-14-7-15-28-5-2/h6,8-13,16-17H,4-5,7,14-15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyDYIAVQIQAJTKDW-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.15
Rot. Bonds10

About N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide

N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide (PubChem CID 166187815) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide
PubChem CID166187815
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)C(C)c2ccc(CC)cc2)c1
InChIInChI=1S/C23H30N2O3/c1-4-18-10-12-19(13-11-18)17(3)22(26)25-21-9-6-8-20(16-21)23(27)24-14-7-15-28-5-2/h6,8-13,16-17H,4-5,7,14-15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyDYIAVQIQAJTKDW-UHFFFAOYSA-N
XLogP4.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide
CID 55924139
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
CID 4531825
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide
CID 55801849
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 51090386
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
CID 119286261
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
CID 53030354

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide (CID 166187815) is N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide is CCOCCCNC(=O)c1cccc(NC(=O)C(C)c2ccc(CC)cc2)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide?
The InChIKey is DYIAVQIQAJTKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-18-10-12-19(13-11-18)17(3)22(26)25-21-9-6-8-20(16-21)23(27)24-14-7-15-28-5-2/h6,8-13,16-17H,4-5,7,14-15H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide?
N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide is sourced from PubChem (CID 166187815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).