1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea

C19H31N3O — CID 60597856

IUPAC1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea
SMILESCc1ccc(C(CNC(=O)N(C)C2CCCCC2)N(C)C)cc1
InChIInChI=1S/C19H31N3O/c1-15-10-12-16(13-11-15)18(21(2)3)14-20-19(23)22(4)17-8-6-5-7-9-17/h10-13,17-18H,5-9,14H2,1-4H3,(H,20,23)
InChIKeyDQQAAAFRZHICGA-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.57
Rot. Bonds5

About 1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea

1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea (PubChem CID 60597856) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea
PubChem CID60597856
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea
SMILESCc1ccc(C(CNC(=O)N(C)C2CCCCC2)N(C)C)cc1
InChIInChI=1S/C19H31N3O/c1-15-10-12-16(13-11-15)18(21(2)3)14-20-19(23)22(4)17-8-6-5-7-9-17/h10-13,17-18H,5-9,14H2,1-4H3,(H,20,23)
InChIKeyDQQAAAFRZHICGA-UHFFFAOYSA-N
XLogP3.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea
CID 125440857
3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide
CID 47082069
3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
CID 60597801
2-amino-N-cyclopentyl-N-methyl-2-(4-methylphenyl)acetamide
CID 106151212
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111455932
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
CID 94214383
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798751
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94799885
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea (CID 60597856) is 1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea is Cc1ccc(C(CNC(=O)N(C)C2CCCCC2)N(C)C)cc1.
What is the InChIKey of 1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea?
The InChIKey is DQQAAAFRZHICGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15-10-12-16(13-11-15)18(21(2)3)14-20-19(23)22(4)17-8-6-5-7-9-17/h10-13,17-18H,5-9,14H2,1-4H3,(H,20,23).
What are the key properties of 1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea?
1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea has a molecular weight of 317.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 60597856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).