N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide

C16H19NO3 — CID 25167837

IUPACN-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(CO)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C16H19NO3/c1-11(19)17-6-5-14-8-12(10-18)7-13-3-4-15(20-2)9-16(13)14/h3-4,7-9,18H,5-6,10H2,1-2H3,(H,17,19)
InChIKeyIAIZEMAANGVQCE-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.02
Rot. Bonds5

About N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide

N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide (PubChem CID 25167837) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
PubChem CID25167837
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(CO)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C16H19NO3/c1-11(19)17-6-5-14-8-12(10-18)7-13-3-4-15(20-2)9-16(13)14/h3-4,7-9,18H,5-6,10H2,1-2H3,(H,17,19)
InChIKeyIAIZEMAANGVQCE-UHFFFAOYSA-N
XLogP2.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea
CID 23360827
1-ethyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
CID 23360900
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-[7-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethyl]acetamide
CID 175436340
N-[2-(7-methoxy-3-morpholin-4-ylnaphthalen-1-yl)ethyl]acetamide
CID 57381332
N-[2-[7-methoxy-3-[3-(methylamino)phenyl]naphthalen-1-yl]ethyl]acetamide
CID 44579115
1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea
CID 23360895
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide (CID 25167837) is N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide is COc1ccc2cc(CO)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The InChIKey is IAIZEMAANGVQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(19)17-6-5-14-8-12(10-18)7-13-3-4-15(20-2)9-16(13)14/h3-4,7-9,18H,5-6,10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide has a molecular weight of 273.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 25167837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).