1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea

C16H25N3O2 — CID 67490540

IUPAC1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea
SMILESCC1CCC(N(CCOCc2ccccn2)C(N)=O)CC1
InChIInChI=1S/C16H25N3O2/c1-13-5-7-15(8-6-13)19(16(17)20)10-11-21-12-14-4-2-3-9-18-14/h2-4,9,13,15H,5-8,10-12H2,1H3,(H2,17,20)
InChIKeyMIHIKTZPIDBYAH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.56
Rot. Bonds6

About 1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea

1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea (PubChem CID 67490540) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea
PubChem CID67490540
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea
SMILESCC1CCC(N(CCOCc2ccccn2)C(N)=O)CC1
InChIInChI=1S/C16H25N3O2/c1-13-5-7-15(8-6-13)19(16(17)20)10-11-21-12-14-4-2-3-9-18-14/h2-4,9,13,15H,5-8,10-12H2,1H3,(H2,17,20)
InChIKeyMIHIKTZPIDBYAH-UHFFFAOYSA-N
XLogP2.56
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
5-(pyridin-2-ylmethoxy)pentanoic acid
CID 83213720
2-amino-3-(pyridin-2-ylmethoxy)propanamide
CID 83213494
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 94822499
[1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride
CID 70533731
N-methyl-2-(pyridin-2-ylmethoxy)acetamide
CID 66785748
2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide
CID 62474295
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
tert-butyl 3-(pyridin-2-ylmethoxy)propanoate
CID 14833129
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea?
The IUPAC name of 1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea (CID 67490540) is 1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea.
What is the SMILES notation for 1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea?
The canonical SMILES for 1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea is CC1CCC(N(CCOCc2ccccn2)C(N)=O)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea?
The InChIKey is MIHIKTZPIDBYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-5-7-15(8-6-13)19(16(17)20)10-11-21-12-14-4-2-3-9-18-14/h2-4,9,13,15H,5-8,10-12H2,1H3,(H2,17,20).
What are the key properties of 1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea?
1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea has a molecular weight of 291.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-1-[2-(pyridin-2-ylmethoxy)ethyl]urea is sourced from PubChem (CID 67490540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).