2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide

C22H26N4O2 — CID 87016991

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NCc2nncn2-c2ccccc2)c1
InChIInChI=1S/C22H26N4O2/c1-15(2)19-11-10-16(3)12-20(19)28-17(4)22(27)23-13-21-25-24-14-26(21)18-8-6-5-7-9-18/h5-12,14-15,17H,13H2,1-4H3,(H,23,27)
InChIKeyNRUWSGHCEGJPRV-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.78
Rot. Bonds7

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 87016991) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID87016991
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NCc2nncn2-c2ccccc2)c1
InChIInChI=1S/C22H26N4O2/c1-15(2)19-11-10-16(3)12-20(19)28-17(4)22(27)23-13-21-25-24-14-26(21)18-8-6-5-7-9-18/h5-12,14-15,17H,13H2,1-4H3,(H,23,27)
InChIKeyNRUWSGHCEGJPRV-UHFFFAOYSA-N
XLogP3.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 51940925
N-[(2-ethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201955
2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
CID 134038041
N-[(4-chlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133235431
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819660
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 100600862
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78759978
2-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]methyl]phenoxy]acetic acid
CID 119246396
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 55852845
N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133202200
2-methoxy-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 53497973
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 94180255

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 87016991) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)NCc2nncn2-c2ccccc2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is NRUWSGHCEGJPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(2)19-11-10-16(3)12-20(19)28-17(4)22(27)23-13-21-25-24-14-26(21)18-8-6-5-7-9-18/h5-12,14-15,17H,13H2,1-4H3,(H,23,27).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 378.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 87016991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).