N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide

C17H19NO2 — CID 10199282

IUPACN-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide
SMILESCOc1ccc2cccc3c2c1CCC3CNC(C)=O
InChIInChI=1S/C17H19NO2/c1-11(19)18-10-13-6-8-15-16(20-2)9-7-12-4-3-5-14(13)17(12)15/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,18,19)
InChIKeyZXFQVANTAXUIKB-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.01
Rot. Bonds3

About N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide

N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide (PubChem CID 10199282) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide
PubChem CID10199282
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide
SMILESCOc1ccc2cccc3c2c1CCC3CNC(C)=O
InChIInChI=1S/C17H19NO2/c1-11(19)18-10-13-6-8-15-16(20-2)9-7-12-4-3-5-14(13)17(12)15/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,18,19)
InChIKeyZXFQVANTAXUIKB-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide 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-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide?
The IUPAC name of N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide (CID 10199282) is N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide?
The canonical SMILES for N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide is COc1ccc2cccc3c2c1CCC3CNC(C)=O.
What is the InChIKey of N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide?
The InChIKey is ZXFQVANTAXUIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11(19)18-10-13-6-8-15-16(20-2)9-7-12-4-3-5-14(13)17(12)15/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide?
N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide has a molecular weight of 269.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide is sourced from PubChem (CID 10199282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).