3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide

C20H25N3O3 — CID 54829841

IUPAC3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide
SMILESCCC(C)Oc1cccc(NCC(=O)Nc2cccc(C(=O)NC)c2)c1
InChIInChI=1S/C20H25N3O3/c1-4-14(2)26-18-10-6-8-16(12-18)22-13-19(24)23-17-9-5-7-15(11-17)20(25)21-3/h5-12,14,22H,4,13H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyZSPURKAHNPUJGO-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.27
Rot. Bonds8

About 3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide

3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide (PubChem CID 54829841) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide
PubChem CID54829841
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide
SMILESCCC(C)Oc1cccc(NCC(=O)Nc2cccc(C(=O)NC)c2)c1
InChIInChI=1S/C20H25N3O3/c1-4-14(2)26-18-10-6-8-16(12-18)22-13-19(24)23-17-9-5-7-15(11-17)20(25)21-3/h5-12,14,22H,4,13H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyZSPURKAHNPUJGO-UHFFFAOYSA-N
XLogP3.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide 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-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838782
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815838
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54829387
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate
CID 54817038
3-[[2-(3-heptoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829228
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide
CID 54829612
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
CID 54830364
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54830126

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide (CID 54829841) is 3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide is CCC(C)Oc1cccc(NCC(=O)Nc2cccc(C(=O)NC)c2)c1.
What is the InChIKey of 3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide?
The InChIKey is ZSPURKAHNPUJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-14(2)26-18-10-6-8-16(12-18)22-13-19(24)23-17-9-5-7-15(11-17)20(25)21-3/h5-12,14,22H,4,13H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide?
3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54829841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).