3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide

C23H30N2O3 — CID 17197514

IUPAC3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C23H30N2O3/c1-15(2)24-22(27)17-8-7-9-19(14-17)25-21(26)16(3)28-20-12-10-18(11-13-20)23(4,5)6/h7-16H,1-6H3,(H,24,27)(H,25,26)
InChIKeyORLRMRNIINJTAU-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.53
Rot. Bonds6

About 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide

3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide (PubChem CID 17197514) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
PubChem CID17197514
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C23H30N2O3/c1-15(2)24-22(27)17-8-7-9-19(14-17)25-21(26)16(3)28-20-12-10-18(11-13-20)23(4,5)6/h7-16H,1-6H3,(H,24,27)(H,25,26)
InChIKeyORLRMRNIINJTAU-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide
CID 17198918
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 94016671
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 46778387
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202386
N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 43887303
3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55896073
3-(2-phenoxypropanoylamino)-N-(1-phenylethyl)benzamide
CID 43877796
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide
CID 94012105
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781748

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide (CID 17197514) is 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is ORLRMRNIINJTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15(2)24-22(27)17-8-7-9-19(14-17)25-21(26)16(3)28-20-12-10-18(11-13-20)23(4,5)6/h7-16H,1-6H3,(H,24,27)(H,25,26).
What are the key properties of 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide?
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 382.50 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 17197514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).