N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide

C14H21NO4 — CID 15341354

IUPACN-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cc(O)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-4-5-13(17)15-7-6-10-8-11(16)14(19-3)12(9-10)18-2/h8-9,16H,4-7H2,1-3H3,(H,15,17)
InChIKeyIGFRCMIRFZNDRJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.87
Rot. Bonds7

About N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide

N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide (PubChem CID 15341354) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide
PubChem CID15341354
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cc(O)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-4-5-13(17)15-7-6-10-8-11(16)14(19-3)12(9-10)18-2/h8-9,16H,4-7H2,1-3H3,(H,15,17)
InChIKeyIGFRCMIRFZNDRJ-UHFFFAOYSA-N
XLogP1.87
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide 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

4-(3-hydroxy-4,5-dimethoxyphenyl)butan-2-one
CID 86067899
2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium
CID 86311037
N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)propanamide
CID 15341356
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
5-heptadecyl-2,3-dimethoxyphenol
CID 11794867
N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamoyl bromide
CID 115193996
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43045435
ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
CID 113095674
5-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870539
N-[2-(3,5-dichlorophenyl)ethyl]butanamide
CID 110478600
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119430660

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide?
The IUPAC name of N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide (CID 15341354) is N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide?
The canonical SMILES for N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide is CCCC(=O)NCCc1cc(O)c(OC)c(OC)c1.
What is the InChIKey of N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide?
The InChIKey is IGFRCMIRFZNDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-5-13(17)15-7-6-10-8-11(16)14(19-3)12(9-10)18-2/h8-9,16H,4-7H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide?
N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide has a molecular weight of 267.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 15341354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).