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

C22H29N3O3 — CID 54838782

IUPAC3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OC(C)CC)c2)c1
InChIInChI=1S/C22H29N3O3/c1-4-12-23-22(27)17-8-6-9-18(13-17)24-15-21(26)25-19-10-7-11-20(14-19)28-16(3)5-2/h6-11,13-14,16,24H,4-5,12,15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyMAJZFYJJHLBQPD-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.05
Rot. Bonds10

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

3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 54838782) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID54838782
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OC(C)CC)c2)c1
InChIInChI=1S/C22H29N3O3/c1-4-12-23-22(27)17-8-6-9-18(13-17)24-15-21(26)25-19-10-7-11-20(14-19)28-16(3)5-2/h6-11,13-14,16,24H,4-5,12,15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyMAJZFYJJHLBQPD-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

4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide
CID 54829612
3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829841
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
CID 54830364
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54823369
N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54830283
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865
3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838866
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
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide (CID 54838782) is 3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OC(C)CC)c2)c1.
What is the InChIKey of 3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is MAJZFYJJHLBQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-12-23-22(27)17-8-6-9-18(13-17)24-15-21(26)25-19-10-7-11-20(14-19)28-16(3)5-2/h6-11,13-14,16,24H,4-5,12,15H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of 3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide?
3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]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 3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54838782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).