N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide

C22H29N3O3 — CID 54830283

IUPACN-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNc2cccc(OC(C)C)c2)c1
InChIInChI=1S/C22H29N3O3/c1-4-5-12-23-22(27)17-8-6-10-19(13-17)25-21(26)15-24-18-9-7-11-20(14-18)28-16(2)3/h6-11,13-14,16,24H,4-5,12,15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyURVIRWPPOGUAEG-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.05
Rot. Bonds10

About N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide

N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide (PubChem CID 54830283) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
PubChem CID54830283
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNc2cccc(OC(C)C)c2)c1
InChIInChI=1S/C22H29N3O3/c1-4-5-12-23-22(27)17-8-6-10-19(13-17)25-21(26)15-24-18-9-7-11-20(14-18)28-16(2)3/h6-11,13-14,16,24H,4-5,12,15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyURVIRWPPOGUAEG-UHFFFAOYSA-N
XLogP4.05
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
CID 54830364
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
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-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838782
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-butyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845454
N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834312

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide (CID 54830283) is N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide is CCCCNC(=O)c1cccc(NC(=O)CNc2cccc(OC(C)C)c2)c1.
What is the InChIKey of N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide?
The InChIKey is URVIRWPPOGUAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-5-12-23-22(27)17-8-6-10-19(13-17)25-21(26)15-24-18-9-7-11-20(14-18)28-16(2)3/h6-11,13-14,16,24H,4-5,12,15H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide?
N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide has a molecular weight of 383.49 g/mol, XLogP of 4.05, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54830283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).