4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide

C32H32N2O6 — CID 22095856

IUPAC4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide
SMILESCCNC(=O)c1cc(Oc2ccc(C(=O)NCCCOc3ccc(C)cc3C)cc2)c2c(C=O)cccc2c1O
InChIInChI=1S/C32H32N2O6/c1-4-33-32(38)26-18-28(29-23(19-35)7-5-8-25(29)30(26)36)40-24-12-10-22(11-13-24)31(37)34-15-6-16-39-27-14-9-20(2)17-21(27)3/h5,7-14,17-19,36H,4,6,15-16H2,1-3H3,(H,33,38)(H,34,37)
InChIKeyGLWAGZNVLDIHQW-UHFFFAOYSA-N
MW540.62 g/mol
LogP5.72
Rot. Bonds11

About 4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide

4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide (PubChem CID 22095856) has the molecular formula C32H32N2O6 and a molecular weight of 540.62 g/mol. Its IUPAC name is 4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide
PubChem CID22095856
Molecular FormulaC32H32N2O6
Molecular Weight540.62 g/mol
Exact Mass540.23
IUPAC Name4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide
SMILESCCNC(=O)c1cc(Oc2ccc(C(=O)NCCCOc3ccc(C)cc3C)cc2)c2c(C=O)cccc2c1O
InChIInChI=1S/C32H32N2O6/c1-4-33-32(38)26-18-28(29-23(19-35)7-5-8-25(29)30(26)36)40-24-12-10-22(11-13-24)31(37)34-15-6-16-39-27-14-9-20(2)17-21(27)3/h5,7-14,17-19,36H,4,6,15-16H2,1-3H3,(H,33,38)(H,34,37)
InChIKeyGLWAGZNVLDIHQW-UHFFFAOYSA-N
XLogP5.72
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide 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-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
CID 22948480
3-(2,4-dimethylphenoxy)-N-ethylbenzamide
CID 12941864
4-cyclohexyloxy-N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
CID 58658276
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
N-[2-(2,4-dimethylphenoxy)ethyl]-3-iodobenzamide
CID 100514188
N-[6-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-5-hydroxynaphthalen-1-yl]-4-ethyl-N,3,5-trimethylpyrazole-1-carboxamide;(4-methylphenyl) 2H-benzotriazole-5-carboxylate
CID 91436846
3-[[6-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-5-hydroxynaphthalen-1-yl]amino]prop-2-ynoic acid
CID 20589160
N-[(2,4-dimethylphenoxy)methyl]-1-hydroxynaphthalene-2-carboxamide
CID 54134586
4-(2-butoxy-5-methylphenyl)sulfanyl-N-dodecyl-1-hydroxynaphthalene-2-carboxamide
CID 59109681
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide
CID 9194405

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide (CID 22095856) is 4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for 4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide is CCNC(=O)c1cc(Oc2ccc(C(=O)NCCCOc3ccc(C)cc3C)cc2)c2c(C=O)cccc2c1O.
What is the InChIKey of 4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is GLWAGZNVLDIHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O6/c1-4-33-32(38)26-18-28(29-23(19-35)7-5-8-25(29)30(26)36)40-24-12-10-22(11-13-24)31(37)34-15-6-16-39-27-14-9-20(2)17-21(27)3/h5,7-14,17-19,36H,4,6,15-16H2,1-3H3,(H,33,38)(H,34,37).
What are the key properties of 4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide?
4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 540.62 g/mol, XLogP of 5.72, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2,4-dimethylphenoxy)propylcarbamoyl]phenoxy]-N-ethyl-5-formyl-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 22095856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).