1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea

C11H22N2O2 — CID 97027382

IUPAC1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea
SMILESCCC[C@@H]1CCCC[C@@H]1NC(=O)NOC
InChIInChI=1S/C11H22N2O2/c1-3-6-9-7-4-5-8-10(9)12-11(14)13-15-2/h9-10H,3-8H2,1-2H3,(H2,12,13,14)/t9-,10+/m1/s1
InChIKeyOYRZZYUUWOKQAM-ZJUUUORDSA-N
MW214.31 g/mol
LogP2.21
Rot. Bonds4

About 1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea

1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea (PubChem CID 97027382) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea.

Molecular Properties

Compound Name1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea
PubChem CID97027382
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea
SMILESCCC[C@@H]1CCCC[C@@H]1NC(=O)NOC
InChIInChI=1S/C11H22N2O2/c1-3-6-9-7-4-5-8-10(9)12-11(14)13-15-2/h9-10H,3-8H2,1-2H3,(H2,12,13,14)/t9-,10+/m1/s1
InChIKeyOYRZZYUUWOKQAM-ZJUUUORDSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide
CID 95568853
(2R)-2-ethoxy-N-[(1R,2R)-2-propylcyclohexyl]propanamide
CID 97027372
(2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide
CID 124743400
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-propylcyclohexyl]cyclopropane-1-carboxamide
CID 124840040
1-cycloheptyl-3-methoxyurea
CID 126986046
1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea
CID 97212414
1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
CID 103722438
(2-butylcyclopentyl)carbamic acid
CID 142463044
1-butyl-3-(2-ethylcyclohexyl)urea
CID 115582575
1-(2-cyclopropylcyclobutyl)-3-methoxyurea
CID 130725595
1-butyl-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569161
1-ethoxy-3-(2-hydroxycyclohexyl)urea
CID 91661385

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea?
The IUPAC name of 1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea (CID 97027382) is 1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea.
What is the SMILES notation for 1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea?
The canonical SMILES for 1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea is CCC[C@@H]1CCCC[C@@H]1NC(=O)NOC.
What is the InChIKey of 1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea?
The InChIKey is OYRZZYUUWOKQAM-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-6-9-7-4-5-8-10(9)12-11(14)13-15-2/h9-10H,3-8H2,1-2H3,(H2,12,13,14)/t9-,10+/m1/s1.
What are the key properties of 1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea?
1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea has a molecular weight of 214.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea is sourced from PubChem (CID 97027382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).