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

C18H29N3O2 — CID 111504156

IUPAC1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCN(C)Cc1ccc(CNC(=O)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C18H29N3O2/c1-21(2)13-15-8-6-14(7-9-15)11-19-18(23)20-12-16-4-3-5-17(22)10-16/h6-9,16-17,22H,3-5,10-13H2,1-2H3,(H2,19,20,23)
InChIKeySWBSEKZZFOOMMJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.10
Rot. Bonds6

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

1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111504156) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111504156
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCN(C)Cc1ccc(CNC(=O)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C18H29N3O2/c1-21(2)13-15-8-6-14(7-9-15)11-19-18(23)20-12-16-4-3-5-17(22)10-16/h6-9,16-17,22H,3-5,10-13H2,1-2H3,(H2,19,20,23)
InChIKeySWBSEKZZFOOMMJ-UHFFFAOYSA-N
XLogP2.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835587
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504017
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111619178
1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504805
2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111459685
1-[(3-hydroxycyclohexyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 111503910
1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472680
1-[(5-bromothiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504860
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505510
1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea
CID 97147839
1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 111486817
1-[(3-hydroxycyclohexyl)methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111506323

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111504156) is 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea is CN(C)Cc1ccc(CNC(=O)NCC2CCCC(O)C2)cc1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is SWBSEKZZFOOMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-21(2)13-15-8-6-14(7-9-15)11-19-18(23)20-12-16-4-3-5-17(22)10-16/h6-9,16-17,22H,3-5,10-13H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 319.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111504156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).