N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide

C13H17NO3 — CID 10354050

IUPACN-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide
SMILESCCC(=O)NC1COc2cccc(OC)c2C1
InChIInChI=1S/C13H17NO3/c1-3-13(15)14-9-7-10-11(16-2)5-4-6-12(10)17-8-9/h4-6,9H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyJVRFONKKXQMUHE-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.52
Rot. Bonds3

About N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide

N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide (PubChem CID 10354050) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide
PubChem CID10354050
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide
SMILESCCC(=O)NC1COc2cccc(OC)c2C1
InChIInChI=1S/C13H17NO3/c1-3-13(15)14-9-7-10-11(16-2)5-4-6-12(10)17-8-9/h4-6,9H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyJVRFONKKXQMUHE-UHFFFAOYSA-N
XLogP1.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide 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-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide?
The IUPAC name of N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide (CID 10354050) is N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide.
What is the SMILES notation for N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide?
The canonical SMILES for N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide is CCC(=O)NC1COc2cccc(OC)c2C1.
What is the InChIKey of N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide?
The InChIKey is JVRFONKKXQMUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-13(15)14-9-7-10-11(16-2)5-4-6-12(10)17-8-9/h4-6,9H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide?
N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide has a molecular weight of 235.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)propanamide is sourced from PubChem (CID 10354050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).