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

C22H29N3O3 — CID 54829612

IUPAC4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CNc2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-13-23-22(27)17-9-11-18(12-10-17)25-21(26)15-24-19-7-6-8-20(14-19)28-16(3)5-2/h6-12,14,16,24H,4-5,13,15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyDMMVVGYQGBZFSW-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.05
Rot. Bonds10

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

4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide (PubChem CID 54829612) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide
PubChem CID54829612
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CNc2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-13-23-22(27)17-9-11-18(12-10-17)25-21(26)15-24-19-7-6-8-20(14-19)28-16(3)5-2/h6-12,14,16,24H,4-5,13,15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyDMMVVGYQGBZFSW-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

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Related Compounds

3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838782
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54829387
N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide
CID 54829711
3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842282
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839201
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
CID 54830364
methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate
CID 54817038
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400
N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815838
3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829841
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide (CID 54829612) is 4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)CNc2cccc(OC(C)CC)c2)cc1.
What is the InChIKey of 4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide?
The InChIKey is DMMVVGYQGBZFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-13-23-22(27)17-9-11-18(12-10-17)25-21(26)15-24-19-7-6-8-20(14-19)28-16(3)5-2/h6-12,14,16,24H,4-5,13,15H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of 4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide?
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide 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 4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54829612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).