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

C22H28N2O3 — CID 55774306

IUPAC2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(C)Oc2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C22H28N2O3/c1-6-20(25)23-17-10-8-11-18(14-17)24-21(26)15(2)27-19-12-7-9-16(13-19)22(3,4)5/h7-15H,6H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyHHKPETWHWHYLFA-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.74
Rot. Bonds6

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

2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide (PubChem CID 55774306) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
PubChem CID55774306
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(C)Oc2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C22H28N2O3/c1-6-20(25)23-17-10-8-11-18(14-17)24-21(26)15(2)27-19-12-7-9-16(13-19)22(3,4)5/h7-15H,6H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyHHKPETWHWHYLFA-UHFFFAOYSA-N
XLogP4.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 55770987
2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide
CID 17204568
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide
CID 17198918
2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 60585839
methyl 3-[2-(3-tert-butylphenoxy)propanoylamino]butanoate
CID 60559643
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788153
2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55777773

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide (CID 55774306) is 2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)C(C)Oc2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide?
The InChIKey is HHKPETWHWHYLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-20(25)23-17-10-8-11-18(14-17)24-21(26)15(2)27-19-12-7-9-16(13-19)22(3,4)5/h7-15H,6H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide?
2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide has a molecular weight of 368.48 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 2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 55774306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).