4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide

C22H26N4O4 — CID 56524435

IUPAC4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1
InChIInChI=1S/C22H26N4O4/c1-3-29-18-7-4-5-8-19(18)30-14-6-9-21(27)23-15-20-24-22(26-25-20)16-10-12-17(28-2)13-11-16/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyXHHWOGJRUBGWDV-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.35
Rot. Bonds11

About 4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide

4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide (PubChem CID 56524435) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
PubChem CID56524435
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1
InChIInChI=1S/C22H26N4O4/c1-3-29-18-7-4-5-8-19(18)30-14-6-9-21(27)23-15-20-24-22(26-25-20)16-10-12-17(28-2)13-11-16/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyXHHWOGJRUBGWDV-UHFFFAOYSA-N
XLogP3.35
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dichlorophenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 56523967
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 56524256
7-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]heptanamide;hydrochloride
CID 119776049
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dipropoxybenzamide
CID 56524628
4-chloro-N-[4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamino]-4-oxobutyl]benzamide
CID 56524620
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 56524362
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 56524003
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 56524158
(2S)-2-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide;hydrochloride
CID 119319166
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
4-(5-chlorothiophen-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-oxobutanamide
CID 56524759
3-methoxy-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 56523615

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide (CID 56524435) is 4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide is CCOc1ccccc1OCCCC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide?
The InChIKey is XHHWOGJRUBGWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-3-29-18-7-4-5-8-19(18)30-14-6-9-21(27)23-15-20-24-22(26-25-20)16-10-12-17(28-2)13-11-16/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide?
4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide has a molecular weight of 410.47 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide is sourced from PubChem (CID 56524435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).