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

C22H26N4O2 — CID 55980333

IUPAC3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c(C)c1
InChIInChI=1S/C22H26N4O2/c1-14(2)21-24-22(26-25-21)17-7-5-6-8-18(17)23-20(27)11-12-28-19-10-9-15(3)13-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyMBMQFCXQNDVLRU-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.62
Rot. Bonds7

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

3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (PubChem CID 55980333) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
PubChem CID55980333
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c(C)c1
InChIInChI=1S/C22H26N4O2/c1-14(2)21-24-22(26-25-21)17-7-5-6-8-18(17)23-20(27)11-12-28-19-10-9-15(3)13-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyMBMQFCXQNDVLRU-UHFFFAOYSA-N
XLogP4.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 60559768
2-(cyclopropylmethylamino)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide;hydrochloride
CID 119737134
2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 55981359
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 55580634
3-(2,4-dimethylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43546863
2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 52700448
3-(2,5-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 26290770
(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119296859
N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetamide
CID 167839928
3-(2,4-dimethylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 39639959
4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 60534452
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (CID 55980333) is 3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is Cc1ccc(OCCC(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The InChIKey is MBMQFCXQNDVLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)21-24-22(26-25-21)17-7-5-6-8-18(17)23-20(27)11-12-28-19-10-9-15(3)13-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,27)(H,24,25,26).
What are the key properties of 3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide has a molecular weight of 378.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 55980333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).