2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide

C20H20N2O2 — CID 56820849

IUPAC2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H20N2O2/c21-20(23)14-24-18-10-8-15(9-11-18)12-22-13-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,22H,12-14H2,(H2,21,23)
InChIKeyYHYSXEDQJLPHMH-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.99
Rot. Bonds7

About 2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide

2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide (PubChem CID 56820849) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide
PubChem CID56820849
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H20N2O2/c21-20(23)14-24-18-10-8-15(9-11-18)12-22-13-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,22H,12-14H2,(H2,21,23)
InChIKeyYHYSXEDQJLPHMH-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]-2-naphthalen-1-ylacetamide
CID 38381033
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 106833902
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 10782345
1-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
CID 17289839
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
CID 71422873
2-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 4513399

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide (CID 56820849) is 2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNCc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide?
The InChIKey is YHYSXEDQJLPHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c21-20(23)14-24-18-10-8-15(9-11-18)12-22-13-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,22H,12-14H2,(H2,21,23).
What are the key properties of 2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide?
2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide has a molecular weight of 320.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 56820849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).