1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea

C20H20N2O2 — CID 108879176

IUPAC1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea
SMILESCc1ccc(OCNC(=O)Nc2cccc3ccccc23)cc1C
InChIInChI=1S/C20H20N2O2/c1-14-10-11-17(12-15(14)2)24-13-21-20(23)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-12H,13H2,1-2H3,(H2,21,22,23)
InChIKeyIZGSLVCRLGJKEE-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.61
Rot. Bonds4

About 1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea

1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea (PubChem CID 108879176) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea
PubChem CID108879176
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea
SMILESCc1ccc(OCNC(=O)Nc2cccc3ccccc23)cc1C
InChIInChI=1S/C20H20N2O2/c1-14-10-11-17(12-15(14)2)24-13-21-20(23)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-12H,13H2,1-2H3,(H2,21,22,23)
InChIKeyIZGSLVCRLGJKEE-UHFFFAOYSA-N
XLogP4.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108878981
1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108879253
1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 108879152
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357
1-[(3,4-dimethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108879109
1-[(3,4-dimethylphenoxy)methyl]-3-pyridin-2-ylurea
CID 108879154
1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108879170
1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108879137
N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 2222927
N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide
CID 100508850
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108888843

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea (CID 108879176) is 1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea is Cc1ccc(OCNC(=O)Nc2cccc3ccccc23)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea?
The InChIKey is IZGSLVCRLGJKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-10-11-17(12-15(14)2)24-13-21-20(23)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-12H,13H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea?
1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea has a molecular weight of 320.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 108879176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).