1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea

C20H19N3O4 — CID 17490110

IUPAC1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
SMILESCOc1ccc(OCC(=O)NNC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C20H19N3O4/c1-26-15-9-11-16(12-10-15)27-13-19(24)22-23-20(25)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyISLPGRJJLAZNDI-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.08
Rot. Bonds5

About 1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea

1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea (PubChem CID 17490110) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
PubChem CID17490110
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
SMILESCOc1ccc(OCC(=O)NNC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C20H19N3O4/c1-26-15-9-11-16(12-10-15)27-13-19(24)22-23-20(25)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyISLPGRJJLAZNDI-UHFFFAOYSA-N
XLogP3.08
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea
CID 2983049
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147366
2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide
CID 4732901
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4146389
2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4632228
1-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 5054756
1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea
CID 25237331
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
N'-[2-(4-methoxyphenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163562

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea (CID 17490110) is 1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea is COc1ccc(OCC(=O)NNC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea?
The InChIKey is ISLPGRJJLAZNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-15-9-11-16(12-10-15)27-13-19(24)22-23-20(25)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of 1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea?
1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea has a molecular weight of 365.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea is sourced from PubChem (CID 17490110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).