N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide

C14H15NO2 — CID 59694936

IUPACN-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide
SMILESCC(=O)NCc1cccc2cccc(CO)c12
InChIInChI=1S/C14H15NO2/c1-10(17)15-8-12-6-2-4-11-5-3-7-13(9-16)14(11)12/h2-7,16H,8-9H2,1H3,(H,15,17)
InChIKeyJQYPOBRLAOUXSD-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.97
Rot. Bonds3

About N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide

N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide (PubChem CID 59694936) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide
PubChem CID59694936
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide
SMILESCC(=O)NCc1cccc2cccc(CO)c12
InChIInChI=1S/C14H15NO2/c1-10(17)15-8-12-6-2-4-11-5-3-7-13(9-16)14(11)12/h2-7,16H,8-9H2,1H3,(H,15,17)
InChIKeyJQYPOBRLAOUXSD-UHFFFAOYSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(8-ethylnaphthalen-1-yl)methanol
CID 59514335
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[[2-(sulfanylmethyl)phenyl]methyl]acetamide
CID 145293797
[8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol
CID 12507693
N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide
CID 91410373
N-(naphthalen-1-ylmethyl)-4-oxopentanamide
CID 62063999
N-[(2-tert-butylphenyl)methyl]acetamide
CID 89458599
(8-pentylnaphthalen-1-yl)methanol
CID 101074092
N-[(3-propan-2-ylnaphthalen-1-yl)methyl]acetamide
CID 134204218
(8-aminonaphthalen-1-yl)methanol
CID 118807853
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383

Frequently Asked Questions

What is the IUPAC name of N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide?
The IUPAC name of N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide (CID 59694936) is N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide.
What is the SMILES notation for N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide?
The canonical SMILES for N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide is CC(=O)NCc1cccc2cccc(CO)c12.
What is the InChIKey of N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide?
The InChIKey is JQYPOBRLAOUXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(17)15-8-12-6-2-4-11-5-3-7-13(9-16)14(11)12/h2-7,16H,8-9H2,1H3,(H,15,17).
What are the key properties of N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide?
N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide is sourced from PubChem (CID 59694936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).