4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide

C24H29N3O3 — CID 1235903

IUPAC4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
SMILESCCOc1ccc(OCc2ccc(C(=O)N[C@H](C)c3cn(CC)nc3C)cc2)cc1
InChIInChI=1S/C24H29N3O3/c1-5-27-15-23(18(4)26-27)17(3)25-24(28)20-9-7-19(8-10-20)16-30-22-13-11-21(12-14-22)29-6-2/h7-15,17H,5-6,16H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKeyPBXLDWVWXZQLPJ-QGZVFWFLSA-N
MW407.51 g/mol
LogP4.68
Rot. Bonds9

About 4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide

4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 1235903) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID1235903
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
SMILESCCOc1ccc(OCc2ccc(C(=O)N[C@H](C)c3cn(CC)nc3C)cc2)cc1
InChIInChI=1S/C24H29N3O3/c1-5-27-15-23(18(4)26-27)17(3)25-24(28)20-9-7-19(8-10-20)16-30-22-13-11-21(12-14-22)29-6-2/h7-15,17H,5-6,16H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKeyPBXLDWVWXZQLPJ-QGZVFWFLSA-N
XLogP4.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide 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

3-[(4-bromophenoxy)methyl]-N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
CID 1231862
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19462831
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19466841
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19467175
5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19462894
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-[(4-methyl-2-nitrophenoxy)methyl]benzamide
CID 19462941
4-[(2-bromophenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466770
5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19462845
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270846
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462655
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide
CID 9277379

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide (CID 1235903) is 4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide is CCOc1ccc(OCc2ccc(C(=O)N[C@H](C)c3cn(CC)nc3C)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is PBXLDWVWXZQLPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-27-15-23(18(4)26-27)17(3)25-24(28)20-9-7-19(8-10-20)16-30-22-13-11-21(12-14-22)29-6-2/h7-15,17H,5-6,16H2,1-4H3,(H,25,28)/t17-/m1/s1.
What are the key properties of 4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide?
4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 407.51 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 1235903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).