1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea

C14H23N3O — CID 94214383

IUPAC1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
SMILESCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C
InChIInChI=1S/C14H23N3O/c1-5-15-14(18)16-10-13(17(3)4)12-8-6-11(2)7-9-12/h6-9,13H,5,10H2,1-4H3,(H2,15,16,18)/t13-/m0/s1
InChIKeySWLHFQPGMXUBBI-ZDUSSCGKSA-N
MW249.36 g/mol
LogP1.92
Rot. Bonds5

About 1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea

1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea (PubChem CID 94214383) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
PubChem CID94214383
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
SMILESCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C
InChIInChI=1S/C14H23N3O/c1-5-15-14(18)16-10-13(17(3)4)12-8-6-11(2)7-9-12/h6-9,13H,5,10H2,1-4H3,(H2,15,16,18)/t13-/m0/s1
InChIKeySWLHFQPGMXUBBI-ZDUSSCGKSA-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

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Related Compounds

3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
CID 60597801
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 124595791
1-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 95191116
1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
CID 52504835
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
N-tert-butyl-2-[[[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382557
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide
CID 126452908
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 45001670
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea (CID 94214383) is 1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea is CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea?
The InChIKey is SWLHFQPGMXUBBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-15-14(18)16-10-13(17(3)4)12-8-6-11(2)7-9-12/h6-9,13H,5,10H2,1-4H3,(H2,15,16,18)/t13-/m0/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea?
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea 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-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea is sourced from PubChem (CID 94214383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).