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

C16H25N3O2 — CID 111472680

IUPAC1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCN(C)c1ccc(NC(=O)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C16H25N3O2/c1-19(2)14-8-6-13(7-9-14)18-16(21)17-11-12-4-3-5-15(20)10-12/h6-9,12,15,20H,3-5,10-11H2,1-2H3,(H2,17,18,21)
InChIKeyWGCWDBDPYKLKON-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.43
Rot. Bonds4

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

1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111472680) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111472680
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCN(C)c1ccc(NC(=O)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C16H25N3O2/c1-19(2)14-8-6-13(7-9-14)18-16(21)17-11-12-4-3-5-15(20)10-12/h6-9,12,15,20H,3-5,10-11H2,1-2H3,(H2,17,18,21)
InChIKeyWGCWDBDPYKLKON-UHFFFAOYSA-N
XLogP2.43
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.43
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-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473697
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
1-[(3-hydroxycyclohexyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 111473469
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
1-(4-sulfanylphenyl)-3-[[3-[[(4-sulfanylphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43834026
1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827
1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea
CID 111473593
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504156
1-(3-bromo-5-fluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111476022
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea
CID 111473884
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111619178

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111472680) is 1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea is CN(C)c1ccc(NC(=O)NCC2CCCC(O)C2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is WGCWDBDPYKLKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)14-8-6-13(7-9-14)18-16(21)17-11-12-4-3-5-15(20)10-12/h6-9,12,15,20H,3-5,10-11H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 291.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111472680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).