N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide

C23H28N4O4 — CID 166287289

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cc(-c3ccccc3OC(C)C)nn2)cc1OC
InChIInChI=1S/C23H28N4O4/c1-16(2)31-20-8-6-5-7-18(20)19-14-27(26-25-19)15-23(28)24-12-11-17-9-10-21(29-3)22(13-17)30-4/h5-10,13-14,16H,11-12,15H2,1-4H3,(H,24,28)
InChIKeyOWNFQALTQTWMBG-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.11
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide (PubChem CID 166287289) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide
PubChem CID166287289
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cc(-c3ccccc3OC(C)C)nn2)cc1OC
InChIInChI=1S/C23H28N4O4/c1-16(2)31-20-8-6-5-7-18(20)19-14-27(26-25-19)15-23(28)24-12-11-17-9-10-21(29-3)22(13-17)30-4/h5-10,13-14,16H,11-12,15H2,1-4H3,(H,24,28)
InChIKeyOWNFQALTQTWMBG-UHFFFAOYSA-N
XLogP3.11
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide 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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220873
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
CID 166272884
4-[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]benzenesulfonyl fluoride
CID 166411680
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220952
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
2-(2,6-dimethoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2494853
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 3408500
3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6620516
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide (CID 166287289) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide is COc1ccc(CCNC(=O)Cn2cc(-c3ccccc3OC(C)C)nn2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide?
The InChIKey is OWNFQALTQTWMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16(2)31-20-8-6-5-7-18(20)19-14-27(26-25-19)15-23(28)24-12-11-17-9-10-21(29-3)22(13-17)30-4/h5-10,13-14,16H,11-12,15H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide has a molecular weight of 424.50 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide is sourced from PubChem (CID 166287289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).