2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide

C25H30N4O3 — CID 166179489

IUPAC2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(NC(=O)CCn2ccnc2)c1
InChIInChI=1S/C25H30N4O3/c1-18(32-22-10-8-19(9-11-22)25(2,3)4)24(31)28-21-7-5-6-20(16-21)27-23(30)12-14-29-15-13-26-17-29/h5-11,13,15-18H,12,14H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyYVEGZLFAPAVFCV-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.62
Rot. Bonds8

About 2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide

2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide (PubChem CID 166179489) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide
PubChem CID166179489
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(NC(=O)CCn2ccnc2)c1
InChIInChI=1S/C25H30N4O3/c1-18(32-22-10-8-19(9-11-22)25(2,3)4)24(31)28-21-7-5-6-20(16-21)27-23(30)12-14-29-15-13-26-17-29/h5-11,13,15-18H,12,14H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyYVEGZLFAPAVFCV-UHFFFAOYSA-N
XLogP4.62
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide
CID 17202560
4-tert-butyl-N-[3-[3-(2-imidazol-1-ylethoxy)anilino]-3-oxopropyl]benzamide
CID 166187077
N-[3-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]phenyl]-3-imidazol-1-ylpropanamide
CID 55986679
2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
CID 55774306
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514
4-acetyl-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]-1H-pyrrole-2-carboxamide
CID 47057941
methyl 2-[[4-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoyl]amino]acetate
CID 55983857
N-[3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chlorophenyl]butanamide
CID 17174596
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 46761948
N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide
CID 17198918
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
3-[3-(3-imidazol-1-ylpropanoylamino)phenyl]prop-2-enoic acid
CID 76907421

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide (CID 166179489) is 2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(NC(=O)CCn2ccnc2)c1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide?
The InChIKey is YVEGZLFAPAVFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18(32-22-10-8-19(9-11-22)25(2,3)4)24(31)28-21-7-5-6-20(16-21)27-23(30)12-14-29-15-13-26-17-29/h5-11,13,15-18H,12,14H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide?
2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide has a molecular weight of 434.54 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide is sourced from PubChem (CID 166179489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).