1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea

C20H31N3O — CID 134307094

IUPAC1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
SMILESCN(C)C1(CNC(=O)NC2CCc3ccccc3C2)CCCCC1
InChIInChI=1S/C20H31N3O/c1-23(2)20(12-6-3-7-13-20)15-21-19(24)22-18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-9,18H,3,6-7,10-15H2,1-2H3,(H2,21,22,24)
InChIKeyOJOSFUDSBYUTOL-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.11
Rot. Bonds4

About 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea

1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea (PubChem CID 134307094) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
PubChem CID134307094
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
SMILESCN(C)C1(CNC(=O)NC2CCc3ccccc3C2)CCCCC1
InChIInChI=1S/C20H31N3O/c1-23(2)20(12-6-3-7-13-20)15-21-19(24)22-18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-9,18H,3,6-7,10-15H2,1-2H3,(H2,21,22,24)
InChIKeyOJOSFUDSBYUTOL-UHFFFAOYSA-N
XLogP3.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
CID 105416058
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 51081511
1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 119146433
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 134307029
cis-(1R,3S)-3-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320224
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea
CID 124618765
(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid
CID 166506978
2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107839632
3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 62305100
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 105419513

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The IUPAC name of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea (CID 134307094) is 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea is CN(C)C1(CNC(=O)NC2CCc3ccccc3C2)CCCCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The InChIKey is OJOSFUDSBYUTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-23(2)20(12-6-3-7-13-20)15-21-19(24)22-18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-9,18H,3,6-7,10-15H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea has a molecular weight of 329.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea is sourced from PubChem (CID 134307094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).