1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea

C14H23N3O — CID 83116277

IUPAC1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea
SMILESCc1ccccc1C(C)NCCNC(=O)N(C)C
InChIInChI=1S/C14H23N3O/c1-11-7-5-6-8-13(11)12(2)15-9-10-16-14(18)17(3)4/h5-8,12,15H,9-10H2,1-4H3,(H,16,18)
InChIKeyWPXZWDUOLIKZQP-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.92
Rot. Bonds5

About 1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea

1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea (PubChem CID 83116277) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea
PubChem CID83116277
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea
SMILESCc1ccccc1C(C)NCCNC(=O)N(C)C
InChIInChI=1S/C14H23N3O/c1-11-7-5-6-8-13(11)12(2)15-9-10-16-14(18)17(3)4/h5-8,12,15H,9-10H2,1-4H3,(H,16,18)
InChIKeyWPXZWDUOLIKZQP-UHFFFAOYSA-N
XLogP1.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116843
3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116569
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83112283
(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 96784262
3,3-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 81375562
3-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]-1,1-dimethylurea
CID 114910040
1,1-dimethyl-3-[2-[1-(4-methyl-3-nitrophenyl)ethylamino]ethyl]urea
CID 83107937
1,1-dimethyl-3-[2-[1-(3-phenyl-1,2-oxazol-5-yl)ethylamino]ethyl]urea
CID 167777368
1,1-dimethyl-3-[2-[(3-methyl-1-phenylbutyl)amino]ethyl]urea
CID 83117113
1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea
CID 83116402
1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea
CID 79154849

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea (CID 83116277) is 1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea is Cc1ccccc1C(C)NCCNC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea?
The InChIKey is WPXZWDUOLIKZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-7-5-6-8-13(11)12(2)15-9-10-16-14(18)17(3)4/h5-8,12,15H,9-10H2,1-4H3,(H,16,18).
What are the key properties of 1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea?
1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea has a molecular weight of 249.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea is sourced from PubChem (CID 83116277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).