N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide

C23H30N2O3 — CID 55770987

IUPACN-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C(C)Oc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C23H30N2O3/c1-15(2)21(26)24-18-10-12-19(13-11-18)25-22(27)16(3)28-20-9-7-8-17(14-20)23(4,5)6/h7-16H,1-6H3,(H,24,26)(H,25,27)
InChIKeyUJJNKOWYQAQHJN-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.98
Rot. Bonds6

About N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide

N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide (PubChem CID 55770987) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
PubChem CID55770987
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C(C)Oc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C23H30N2O3/c1-15(2)21(26)24-18-10-12-19(13-11-18)25-22(27)16(3)28-20-9-7-8-17(14-20)23(4,5)6/h7-16H,1-6H3,(H,24,26)(H,25,27)
InChIKeyUJJNKOWYQAQHJN-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
CID 55774306
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid
CID 43905180
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
(2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 51958490
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide (CID 55770987) is N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC(=O)C(C)Oc2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide?
The InChIKey is UJJNKOWYQAQHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15(2)21(26)24-18-10-12-19(13-11-18)25-22(27)16(3)28-20-9-7-8-17(14-20)23(4,5)6/h7-16H,1-6H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide?
N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide has a molecular weight of 382.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 55770987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).