3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea

C15H18N2O — CID 34711127

IUPAC3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
SMILESCCNC(=O)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H18N2O/c1-3-16-15(18)17(2)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,3,11H2,1-2H3,(H,16,18)
InChIKeyJBSBMORZVOMWGA-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.00
Rot. Bonds3

About 3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea

3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea (PubChem CID 34711127) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
PubChem CID34711127
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
SMILESCCNC(=O)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H18N2O/c1-3-16-15(18)17(2)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,3,11H2,1-2H3,(H,16,18)
InChIKeyJBSBMORZVOMWGA-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl N-[ethylcarbamoyl(naphthalen-2-ylmethyl)amino]carbamate
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3-amino-N-methyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
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CID 61264255
N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 39967874
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270374
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(naphthalen-2-ylmethyl)acetamide
CID 115950185
5-bromo-N-methyl-N-(naphthalen-2-ylmethyl)thiophene-2-carboxamide
CID 60646059
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea?
The IUPAC name of 3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea (CID 34711127) is 3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea?
The canonical SMILES for 3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea is CCNC(=O)N(C)Cc1ccc2ccccc2c1.
What is the InChIKey of 3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea?
The InChIKey is JBSBMORZVOMWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-16-15(18)17(2)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,3,11H2,1-2H3,(H,16,18).
What are the key properties of 3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea?
3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea has a molecular weight of 242.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea is sourced from PubChem (CID 34711127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).