ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide

C19H25NO4 — CID 177154324

IUPACethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide
SMILESC=COCO.COc1ccc2cccc(CCN(C)C(C)=O)c2c1
InChIInChI=1S/C16H19NO2.C3H6O2/c1-12(18)17(2)10-9-14-6-4-5-13-7-8-15(19-3)11-16(13)14;1-2-5-3-4/h4-8,11H,9-10H2,1-3H3;2,4H,1,3H2
InChIKeyGJNVCIWBBFUBDN-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.97
Rot. Bonds6

About ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide

ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide (PubChem CID 177154324) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Nameethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide
PubChem CID177154324
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Nameethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide
SMILESC=COCO.COc1ccc2cccc(CCN(C)C(C)=O)c2c1
InChIInChI=1S/C16H19NO2.C3H6O2/c1-12(18)17(2)10-9-14-6-4-5-13-7-8-15(19-3)11-16(13)14;1-2-5-3-4/h4-8,11H,9-10H2,1-3H3;2,4H,1,3H2
InChIKeyGJNVCIWBBFUBDN-UHFFFAOYSA-N
XLogP2.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide 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

N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 68534392
N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide
CID 71227732
N-(tert-butylsulfamoyl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 71227478
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 115191281
N,N-diethyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 170604527
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759

Frequently Asked Questions

What is the IUPAC name of ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide?
The IUPAC name of ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide (CID 177154324) is ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide?
The canonical SMILES for ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide is C=COCO.COc1ccc2cccc(CCN(C)C(C)=O)c2c1.
What is the InChIKey of ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide?
The InChIKey is GJNVCIWBBFUBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C3H6O2/c1-12(18)17(2)10-9-14-6-4-5-13-7-8-15(19-3)11-16(13)14;1-2-5-3-4/h4-8,11H,9-10H2,1-3H3;2,4H,1,3H2.
What are the key properties of ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide?
ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide has a molecular weight of 331.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 177154324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).