1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea

C16H31N3O2 — CID 110902753

IUPAC1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea
SMILESCC1CCCC(CNC(=O)N(CCO)C2CC2)(N(C)C)C1
InChIInChI=1S/C16H31N3O2/c1-13-5-4-8-16(11-13,18(2)3)12-17-15(21)19(9-10-20)14-6-7-14/h13-14,20H,4-12H2,1-3H3,(H,17,21)
InChIKeyFYCDYIQAKBVCLD-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.66
Rot. Bonds6

About 1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea (PubChem CID 110902753) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea
PubChem CID110902753
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea
SMILESCC1CCCC(CNC(=O)N(CCO)C2CC2)(N(C)C)C1
InChIInChI=1S/C16H31N3O2/c1-13-5-4-8-16(11-13,18(2)3)12-17-15(21)19(9-10-20)14-6-7-14/h13-14,20H,4-12H2,1-3H3,(H,17,21)
InChIKeyFYCDYIQAKBVCLD-UHFFFAOYSA-N
XLogP1.66
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[Bis(2-hydroxyethyl)amino]ethyl]-3-[3-[[2-[bis(2-hydroxyethyl)amino]ethylcarbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]urea
CID 59782282
1-[4-[2-[Cyclohexyl(2-hydroxyethyl)amino]ethyl-[4-(2-hexyldecylcarbamoylamino)butyl]amino]butyl]-3-(2-hexyldecyl)urea
CID 164773511
1-[4-[2-[Cyclohexyl(2-hydroxyethyl)amino]ethyl-[4-[[(2-hexyldecylamino)-hydroxymethyl]amino]butyl]amino]butyl]-3-(2-hexyldecyl)urea
CID 167069469
3-[2-Cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 47250493
1-Cyclopropyl-3-[1-(hydroxymethyl)-3-methylcyclohexyl]urea
CID 62700242
1-Cyclopropyl-3-[[1-[2-hydroxyethyl(methyl)amino]cyclohexyl]methyl]urea
CID 72042106
1-Ethyl-1-(2-hydroxyethyl)-3-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea
CID 108488821
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-[(2R)-4-hydroxybutan-2-yl]urea
CID 109621909
1-Cyclopropyl-3-[(4,4-dimethylcyclohexyl)methyl]-1-(2-hydroxyethyl)urea
CID 109872509
3-(2-Cyclohexyl-2-methylpropyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 109916787
3-[2-Cyclohexyl-2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)-1-methylurea
CID 109923309
1-(2-Hydroxyethyl)-1-methyl-3-(3-methylcyclohexyl)urea
CID 109923422

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea (CID 110902753) is 1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea is CC1CCCC(CNC(=O)N(CCO)C2CC2)(N(C)C)C1.
What is the InChIKey of 1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea?
The InChIKey is FYCDYIQAKBVCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13-5-4-8-16(11-13,18(2)3)12-17-15(21)19(9-10-20)14-6-7-14/h13-14,20H,4-12H2,1-3H3,(H,17,21).
What are the key properties of 1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea has a molecular weight of 297.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110902753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).