3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide

C18H23N3O4 — CID 126842066

IUPAC3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide
SMILESCOc1cc(C=O)ccc1OCCC(=O)NCC(C)(C)n1cccn1
InChIInChI=1S/C18H23N3O4/c1-18(2,21-9-4-8-20-21)13-19-17(23)7-10-25-15-6-5-14(12-22)11-16(15)24-3/h4-6,8-9,11-12H,7,10,13H2,1-3H3,(H,19,23)
InChIKeySGVZFVKMXBGIPF-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.02
Rot. Bonds9

About 3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide

3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide (PubChem CID 126842066) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide
PubChem CID126842066
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide
SMILESCOc1cc(C=O)ccc1OCCC(=O)NCC(C)(C)n1cccn1
InChIInChI=1S/C18H23N3O4/c1-18(2,21-9-4-8-20-21)13-19-17(23)7-10-25-15-6-5-14(12-22)11-16(15)24-3/h4-6,8-9,11-12H,7,10,13H2,1-3H3,(H,19,23)
InChIKeySGVZFVKMXBGIPF-UHFFFAOYSA-N
XLogP2.02
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)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

N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide
CID 62326485
4-methoxy-3-(3-pyrazol-1-ylpropoxy)benzaldehyde
CID 167995690
N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide
CID 97352393
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9480867
methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate
CID 87741357
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
4-[2-(2,5-dihydroxypyrrol-1-yl)ethoxy]-3-methoxybenzaldehyde
CID 123971235

Frequently Asked Questions

What is the IUPAC name of 3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide?
The IUPAC name of 3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide (CID 126842066) is 3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide is COc1cc(C=O)ccc1OCCC(=O)NCC(C)(C)n1cccn1.
What is the InChIKey of 3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide?
The InChIKey is SGVZFVKMXBGIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-18(2,21-9-4-8-20-21)13-19-17(23)7-10-25-15-6-5-14(12-22)11-16(15)24-3/h4-6,8-9,11-12H,7,10,13H2,1-3H3,(H,19,23).
What are the key properties of 3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide?
3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide is sourced from PubChem (CID 126842066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).