2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea

C16H24N2O — CID 91368544

IUPAC2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea
SMILESCC1=C(C)Cc2ccccc2C1.CCN(C)C(N)=O
InChIInChI=1S/C12H14.C4H10N2O/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-3-6(2)4(5)7/h3-6H,7-8H2,1-2H3;3H2,1-2H3,(H2,5,7)
InChIKeyZPKXDMOJKKNVOF-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.14
Rot. Bonds1

About 2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea

2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea (PubChem CID 91368544) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea.

Molecular Properties

Compound Name2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea
PubChem CID91368544
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea
SMILESCC1=C(C)Cc2ccccc2C1.CCN(C)C(N)=O
InChIInChI=1S/C12H14.C4H10N2O/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-3-6(2)4(5)7/h3-6H,7-8H2,1-2H3;3H2,1-2H3,(H2,5,7)
InChIKeyZPKXDMOJKKNVOF-UHFFFAOYSA-N
XLogP3.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-methylurea
CID 3032104
2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one
CID 91126999
ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate
CID 106703666
1-methyl-1-[2-(2-methylphenyl)ethyl]urea
CID 115168706
butan-2-one;tetrakis(2,3-dimethyl-1,4-dihydronaphthalene);ethane;3-ethyl-5-methyl-2H-pyrrole;hexane-2,4-dione
CID 169427463
bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea
CID 19082332
1-ethyl-1-methyl-3,3-diphenylurea
CID 67018920
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide
CID 70155111
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
N-ethyl-N-methyl-N',N'-diphenylbutanediamide
CID 172997394
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea?
The IUPAC name of 2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea (CID 91368544) is 2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea.
What is the SMILES notation for 2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea?
The canonical SMILES for 2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea is CC1=C(C)Cc2ccccc2C1.CCN(C)C(N)=O.
What is the InChIKey of 2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea?
The InChIKey is ZPKXDMOJKKNVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C4H10N2O/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-3-6(2)4(5)7/h3-6H,7-8H2,1-2H3;3H2,1-2H3,(H2,5,7).
What are the key properties of 2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea?
2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea has a molecular weight of 260.38 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-dihydronaphthalene;1-ethyl-1-methylurea is sourced from PubChem (CID 91368544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).