N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide

C22H28N2O4 — CID 78775457

IUPACN,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
SMILESCCCOc1ccc(OCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-4-14-27-19-10-12-20(13-11-19)28-16-21(25)23-18-9-7-8-17(15-18)22(26)24(5-2)6-3/h7-13,15H,4-6,14,16H2,1-3H3,(H,23,25)
InChIKeyFVHBFZJSPYXLEG-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.97
Rot. Bonds10

About N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide

N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide (PubChem CID 78775457) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
PubChem CID78775457
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
SMILESCCCOc1ccc(OCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-4-14-27-19-10-12-20(13-11-19)28-16-21(25)23-18-9-7-8-17(15-18)22(26)24(5-2)6-3/h7-13,15H,4-6,14,16H2,1-3H3,(H,23,25)
InChIKeyFVHBFZJSPYXLEG-UHFFFAOYSA-N
XLogP3.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54832527
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 8579079
methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 55750199
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808978
N-(3-hydroxyphenyl)-2-(4-propoxyphenoxy)acetamide
CID 78783405
N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822926
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
CID 60607023
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8754906

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide (CID 78775457) is N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide is CCCOc1ccc(OCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1.
What is the InChIKey of N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide?
The InChIKey is FVHBFZJSPYXLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-14-27-19-10-12-20(13-11-19)28-16-21(25)23-18-9-7-8-17(15-18)22(26)24(5-2)6-3/h7-13,15H,4-6,14,16H2,1-3H3,(H,23,25).
What are the key properties of N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide?
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 78775457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).