N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide

C14H17NO3 — CID 87937857

IUPACN-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide
SMILESCCCC(=O)NCC1=c2ccc(O)cc2=COC1
InChIInChI=1S/C14H17NO3/c1-2-3-14(17)15-7-11-9-18-8-10-6-12(16)4-5-13(10)11/h4-6,8,16H,2-3,7,9H2,1H3,(H,15,17)
InChIKeyZFZMVKQPTFWTAU-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.23
Rot. Bonds4

About N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide

N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide (PubChem CID 87937857) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide
PubChem CID87937857
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide
SMILESCCCC(=O)NCC1=c2ccc(O)cc2=COC1
InChIInChI=1S/C14H17NO3/c1-2-3-14(17)15-7-11-9-18-8-10-6-12(16)4-5-13(10)11/h4-6,8,16H,2-3,7,9H2,1H3,(H,15,17)
InChIKeyZFZMVKQPTFWTAU-UHFFFAOYSA-N
XLogP0.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide?
The IUPAC name of N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide (CID 87937857) is N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide.
What is the SMILES notation for N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide?
The canonical SMILES for N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide is CCCC(=O)NCC1=c2ccc(O)cc2=COC1.
What is the InChIKey of N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide?
The InChIKey is ZFZMVKQPTFWTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-3-14(17)15-7-11-9-18-8-10-6-12(16)4-5-13(10)11/h4-6,8,16H,2-3,7,9H2,1H3,(H,15,17).
What are the key properties of N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide?
N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide has a molecular weight of 247.29 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-hydroxy-3H-isochromen-4-yl)methyl]butanamide is sourced from PubChem (CID 87937857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).