1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea

C16H25N3O2 — CID 75483877

IUPAC1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)N(C)CC1CCCCC1O)c1ccncc1
InChIInChI=1S/C16H25N3O2/c1-12(13-7-9-17-10-8-13)18-16(21)19(2)11-14-5-3-4-6-15(14)20/h7-10,12,14-15,20H,3-6,11H2,1-2H3,(H,18,21)
InChIKeySTURQXDRBQOMPQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.34
Rot. Bonds4

About 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea

1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea (PubChem CID 75483877) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
PubChem CID75483877
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)N(C)CC1CCCCC1O)c1ccncc1
InChIInChI=1S/C16H25N3O2/c1-12(13-7-9-17-10-8-13)18-16(21)19(2)11-14-5-3-4-6-15(14)20/h7-10,12,14-15,20H,3-6,11H2,1-2H3,(H,18,21)
InChIKeySTURQXDRBQOMPQ-UHFFFAOYSA-N
XLogP2.34
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,3-difluorophenyl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 86784726
3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011834
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 75473245
1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea
CID 110012205
3-[1-(4-bromophenyl)ethyl]-1-(cyclohexylmethyl)-1-methylurea
CID 112831842
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea
CID 110012762
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1R)-3-methyl-1-pyridin-2-ylbutyl]urea
CID 97242838
1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea
CID 86999651
1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea
CID 86999671
3-[methyl-[1-(4-pyridin-4-ylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122004708
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 109398067
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-pyridin-2-ylbutyl]urea
CID 97326954

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea (CID 75483877) is 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea is CC(NC(=O)N(C)CC1CCCCC1O)c1ccncc1.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is STURQXDRBQOMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(13-7-9-17-10-8-13)18-16(21)19(2)11-14-5-3-4-6-15(14)20/h7-10,12,14-15,20H,3-6,11H2,1-2H3,(H,18,21).
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea?
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 291.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 75483877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).