3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea

C16H27N3O — CID 60597801

IUPAC3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C16H27N3O/c1-6-19(7-2)16(20)17-12-15(18(4)5)14-10-8-13(3)9-11-14/h8-11,15H,6-7,12H2,1-5H3,(H,17,20)
InChIKeyZTLMURQOWGWBAQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.65
Rot. Bonds6

About 3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea

3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea (PubChem CID 60597801) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
PubChem CID60597801
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C16H27N3O/c1-6-19(7-2)16(20)17-12-15(18(4)5)14-10-8-13(3)9-11-14/h8-11,15H,6-7,12H2,1-5H3,(H,17,20)
InChIKeyZTLMURQOWGWBAQ-UHFFFAOYSA-N
XLogP2.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 112503851
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
CID 94214383
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-ethylurea
CID 60597803
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431
1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea
CID 60597856
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 94219164
(2R)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 94821438
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea
CID 125440857
3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-(2-imidazol-1-ylethyl)-1-methylurea
CID 125439891
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 45001670
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide
CID 126452908

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea?
The IUPAC name of 3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea (CID 60597801) is 3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea.
What is the SMILES notation for 3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea?
The canonical SMILES for 3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea is CCN(CC)C(=O)NCC(c1ccc(C)cc1)N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea?
The InChIKey is ZTLMURQOWGWBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-19(7-2)16(20)17-12-15(18(4)5)14-10-8-13(3)9-11-14/h8-11,15H,6-7,12H2,1-5H3,(H,17,20).
What are the key properties of 3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea?
3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea has a molecular weight of 277.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea is sourced from PubChem (CID 60597801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).