3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea

C16H25N3O2 — CID 53184953

IUPAC3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
SMILESCCOc1ncccc1CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-3-21-15-13(8-7-11-17-15)12-19(2)16(20)18-14-9-5-4-6-10-14/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,18,20)
InChIKeyWTXKBDYCNLGPEM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.95
Rot. Bonds5

About 3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea

3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea (PubChem CID 53184953) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
PubChem CID53184953
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
SMILESCCOc1ncccc1CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-3-21-15-13(8-7-11-17-15)12-19(2)16(20)18-14-9-5-4-6-10-14/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,18,20)
InChIKeyWTXKBDYCNLGPEM-UHFFFAOYSA-N
XLogP2.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
CID 53184952
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea
CID 53184961
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 53184960
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea
CID 124509076
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea
CID 53185034
3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 86841972
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 53184935
1-(2-ethoxy-3-pyridinyl)propan-2-one
CID 83875082

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea?
The IUPAC name of 3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea (CID 53184953) is 3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea.
What is the SMILES notation for 3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea?
The canonical SMILES for 3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea is CCOc1ncccc1CN(C)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea?
The InChIKey is WTXKBDYCNLGPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-21-15-13(8-7-11-17-15)12-19(2)16(20)18-14-9-5-4-6-10-14/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,18,20).
What are the key properties of 3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea?
3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea has a molecular weight of 291.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea is sourced from PubChem (CID 53184953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).