N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide

C20H25N3O3 — CID 36861007

IUPACN-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
SMILESCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCC)c2)c1
InChIInChI=1S/C20H25N3O3/c1-3-11-26-18-10-6-8-16(13-18)22-14-19(24)23-17-9-5-7-15(12-17)20(25)21-4-2/h5-10,12-13,22H,3-4,11,14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyFWMGUHQLUWMNIB-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.28
Rot. Bonds9

About N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide

N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide (PubChem CID 36861007) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
PubChem CID36861007
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
SMILESCCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCC)c2)c1
InChIInChI=1S/C20H25N3O3/c1-3-11-26-18-10-6-8-16(13-18)22-14-19(24)23-17-9-5-7-15(12-17)20(25)21-4-2/h5-10,12-13,22H,3-4,11,14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyFWMGUHQLUWMNIB-UHFFFAOYSA-N
XLogP3.28
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3-[[2-(3-propoxyanilino)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

3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232
N-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838866
N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834312
3-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844364
3-[[2-(3-heptoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829228
N-benzyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842997
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide (CID 36861007) is N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide is CCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCC)c2)c1.
What is the InChIKey of N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide?
The InChIKey is FWMGUHQLUWMNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-11-26-18-10-6-8-16(13-18)22-14-19(24)23-17-9-5-7-15(12-17)20(25)21-4-2/h5-10,12-13,22H,3-4,11,14H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide?
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 36861007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).