N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide

C23H30N2O3 — CID 43887303

IUPACN-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C23H30N2O3/c1-15(2)17-10-12-20(13-11-17)28-16(3)21(26)24-19-9-7-8-18(14-19)22(27)25-23(4,5)6/h7-16H,1-6H3,(H,24,26)(H,25,27)
InChIKeyKYVKBGZAYTWYAI-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.74
Rot. Bonds6

About N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide

N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide (PubChem CID 43887303) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
PubChem CID43887303
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C23H30N2O3/c1-15(2)17-10-12-20(13-11-17)28-16(3)21(26)24-19-9-7-8-18(14-19)22(27)25-23(4,5)6/h7-16H,1-6H3,(H,24,26)(H,25,27)
InChIKeyKYVKBGZAYTWYAI-UHFFFAOYSA-N
XLogP4.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887304
N-tert-butyl-3-[2-(2-methylphenoxy)propanoylamino]benzamide
CID 43887288
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide
CID 43887296
3-(2-phenoxypropanoylamino)-N-(1-phenylethyl)benzamide
CID 43877796
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
[3-[[4-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927645
3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877477

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide (CID 43887303) is N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide is CC(Oc1ccc(C(C)C)cc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The InChIKey is KYVKBGZAYTWYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15(2)17-10-12-20(13-11-17)28-16(3)21(26)24-19-9-7-8-18(14-19)22(27)25-23(4,5)6/h7-16H,1-6H3,(H,24,26)(H,25,27).
What are the key properties of N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 43887303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).