4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide

C21H26N4O3 — CID 54832994

IUPAC4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1
InChIInChI=1S/C21H26N4O3/c1-4-19(26)25-18-7-5-6-17(12-18)22-13-20(27)24-16-10-8-15(9-11-16)21(28)23-14(2)3/h5-12,14,22H,4,13H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyULKKAZDYUQZXKB-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.22
Rot. Bonds8

About 4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide

4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54832994) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID54832994
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1
InChIInChI=1S/C21H26N4O3/c1-4-19(26)25-18-7-5-6-17(12-18)22-13-20(27)24-16-10-8-15(9-11-16)21(28)23-14(2)3/h5-12,14,22H,4,13H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyULKKAZDYUQZXKB-UHFFFAOYSA-N
XLogP3.22
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide 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-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842589
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54829387
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
methyl 4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54833405
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840781
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833198
3-methyl-N-[4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54833495
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide (CID 54832994) is 4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide is CCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1.
What is the InChIKey of 4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is ULKKAZDYUQZXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-19(26)25-18-7-5-6-17(12-18)22-13-20(27)24-16-10-8-15(9-11-16)21(28)23-14(2)3/h5-12,14,22H,4,13H2,1-3H3,(H,23,28)(H,24,27)(H,25,26).
What are the key properties of 4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.22, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54832994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).