1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea

C17H27N3O2 — CID 111473697

IUPAC1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1cc(NC(=O)NCC2CCCC(O)C2)ccc1N(C)C
InChIInChI=1S/C17H27N3O2/c1-12-9-14(7-8-16(12)20(2)3)19-17(22)18-11-13-5-4-6-15(21)10-13/h7-9,13,15,21H,4-6,10-11H2,1-3H3,(H2,18,19,22)
InChIKeyJLDMFYXRHSDISX-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.73
Rot. Bonds4

About 1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea

1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111473697) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111473697
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1cc(NC(=O)NCC2CCCC(O)C2)ccc1N(C)C
InChIInChI=1S/C17H27N3O2/c1-12-9-14(7-8-16(12)20(2)3)19-17(22)18-11-13-5-4-6-15(21)10-13/h7-9,13,15,21H,4-6,10-11H2,1-3H3,(H2,18,19,22)
InChIKeyJLDMFYXRHSDISX-UHFFFAOYSA-N
XLogP2.73
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472680
1-(2-cyclopentylethyl)-3-[4-(dimethylamino)-3-methylphenyl]urea
CID 78877830
N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490629
1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472992
1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827
1-[(3-hydroxycyclohexyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 111473469
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110894213
1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473171
1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472842
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea
CID 111473884
1-(3-bromo-5-fluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111476022

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111473697) is 1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea is Cc1cc(NC(=O)NCC2CCCC(O)C2)ccc1N(C)C.
What is the InChIKey of 1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is JLDMFYXRHSDISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-9-14(7-8-16(12)20(2)3)19-17(22)18-11-13-5-4-6-15(21)10-13/h7-9,13,15,21H,4-6,10-11H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 305.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111473697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).