N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide

C19H28N2O4 — CID 131919860

IUPACN-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide
SMILESCOc1cc(NC(=O)CCC(=O)NC2CCCCCCC2)ccc1O
InChIInChI=1S/C19H28N2O4/c1-25-17-13-15(9-10-16(17)22)21-19(24)12-11-18(23)20-14-7-5-3-2-4-6-8-14/h9-10,13-14,22H,2-8,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeySTINNWSMHBLXEE-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.35
Rot. Bonds6

About N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide

N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide (PubChem CID 131919860) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide.

Molecular Properties

Compound NameN-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide
PubChem CID131919860
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide
SMILESCOc1cc(NC(=O)CCC(=O)NC2CCCCCCC2)ccc1O
InChIInChI=1S/C19H28N2O4/c1-25-17-13-15(9-10-16(17)22)21-19(24)12-11-18(23)20-14-7-5-3-2-4-6-8-14/h9-10,13-14,22H,2-8,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeySTINNWSMHBLXEE-UHFFFAOYSA-N
XLogP3.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide 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-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide
CID 111075467
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 112999302
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 4981107
3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide
CID 82034660
2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide
CID 107266016
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide
CID 119717551
N-cyclohexyl-3-(2,6-dimethoxyphenyl)propanamide
CID 100789356
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
[2-(cyclopropylamino)-2-oxoethyl]-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052930

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide?
The IUPAC name of N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide (CID 131919860) is N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide.
What is the SMILES notation for N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide?
The canonical SMILES for N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide is COc1cc(NC(=O)CCC(=O)NC2CCCCCCC2)ccc1O.
What is the InChIKey of N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide?
The InChIKey is STINNWSMHBLXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-25-17-13-15(9-10-16(17)22)21-19(24)12-11-18(23)20-14-7-5-3-2-4-6-8-14/h9-10,13-14,22H,2-8,11-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide?
N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide has a molecular weight of 348.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide is sourced from PubChem (CID 131919860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).