3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide

C23H31N3O3 — CID 54830364

IUPAC3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNc2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C23H31N3O3/c1-4-6-14-24-23(28)18-8-7-9-20(15-18)26-22(27)16-25-19-10-12-21(13-11-19)29-17(3)5-2/h7-13,15,17,25H,4-6,14,16H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyFIRIKZLUNYKMGX-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.44
Rot. Bonds11

About 3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide

3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide (PubChem CID 54830364) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
PubChem CID54830364
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNc2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C23H31N3O3/c1-4-6-14-24-23(28)18-8-7-9-20(15-18)26-22(27)16-25-19-10-12-21(13-11-19)29-17(3)5-2/h7-13,15,17,25H,4-6,14,16H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyFIRIKZLUNYKMGX-UHFFFAOYSA-N
XLogP4.44
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54830126
3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842282
N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54830283
3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838782
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812285
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
N-butyl-3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54821547
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-butyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845454

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide?
The IUPAC name of 3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide (CID 54830364) is 3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide.
What is the SMILES notation for 3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide?
The canonical SMILES for 3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide is CCCCNC(=O)c1cccc(NC(=O)CNc2ccc(OC(C)CC)cc2)c1.
What is the InChIKey of 3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide?
The InChIKey is FIRIKZLUNYKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-6-14-24-23(28)18-8-7-9-20(15-18)26-22(27)16-25-19-10-12-21(13-11-19)29-17(3)5-2/h7-13,15,17,25H,4-6,14,16H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of 3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide?
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide has a molecular weight of 397.52 g/mol, XLogP of 4.44, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide is sourced from PubChem (CID 54830364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).