1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea

C16H30N2O3 — CID 129421266

IUPAC1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)N(C)C[C@H]1CCOC1
InChIInChI=1S/C16H30N2O3/c1-13-5-3-4-6-15(13)21-10-8-17-16(19)18(2)11-14-7-9-20-12-14/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14-,15-/m1/s1
InChIKeyAJFZYCRTHUSFQL-RBSFLKMASA-N
MW298.43 g/mol
LogP2.26
Rot. Bonds6

About 1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea

1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 129421266) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID129421266
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)N(C)C[C@H]1CCOC1
InChIInChI=1S/C16H30N2O3/c1-13-5-3-4-6-15(13)21-10-8-17-16(19)18(2)11-14-7-9-20-12-14/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14-,15-/m1/s1
InChIKeyAJFZYCRTHUSFQL-RBSFLKMASA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 56825722
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide
CID 120787402
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 95291672
1-methyl-1-(oxan-4-ylmethyl)-3-propylurea
CID 110752121
1-methyl-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-(2-pyrazol-1-ylethyl)urea
CID 95622064
2-methyl-4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 80541148
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
4-[2-(2-methylcyclohexyl)oxyethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672702
3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide
CID 119723094
3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 91905754

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea (CID 129421266) is 1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea is C[C@@H]1CCCC[C@H]1OCCNC(=O)N(C)C[C@H]1CCOC1.
What is the InChIKey of 1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is AJFZYCRTHUSFQL-RBSFLKMASA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13-5-3-4-6-15(13)21-10-8-17-16(19)18(2)11-14-7-9-20-12-14/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14-,15-/m1/s1.
What are the key properties of 1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea?
1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 298.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 129421266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).