4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide

C24H33N3O3 — CID 54830248

IUPAC4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C24H33N3O3/c1-5-14-27(15-6-2)24(29)19-10-12-20(13-11-19)26-23(28)17-25-21-8-7-9-22(16-21)30-18(3)4/h7-13,16,18,25H,5-6,14-15,17H2,1-4H3,(H,26,28)
InChIKeyXOJOALJVWMOCQF-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.79
Rot. Bonds11

About 4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide

4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54830248) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54830248
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C24H33N3O3/c1-5-14-27(15-6-2)24(29)19-10-12-20(13-11-19)26-23(28)17-25-21-8-7-9-22(16-21)30-18(3)4/h7-13,16,18,25H,5-6,14-15,17H2,1-4H3,(H,26,28)
InChIKeyXOJOALJVWMOCQF-UHFFFAOYSA-N
XLogP4.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54836962
4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832146
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54839041
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide (CID 54830248) is 4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)CNc2cccc(OC(C)C)c2)cc1.
What is the InChIKey of 4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is XOJOALJVWMOCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-5-14-27(15-6-2)24(29)19-10-12-20(13-11-19)26-23(28)17-25-21-8-7-9-22(16-21)30-18(3)4/h7-13,16,18,25H,5-6,14-15,17H2,1-4H3,(H,26,28).
What are the key properties of 4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 411.55 g/mol, XLogP of 4.79, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54830248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).