1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea

C14H26N2O2 — CID 100860084

IUPAC1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea
SMILESCO[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H](C)C1CC1
InChIInChI=1S/C14H26N2O2/c1-10(11-8-9-11)16(2)14(17)15-12-6-4-5-7-13(12)18-3/h10-13H,4-9H2,1-3H3,(H,15,17)/t10-,12-,13+/m0/s1
InChIKeyCPPZMDMRPXUZFT-WCFLWFBJSA-N
MW254.37 g/mol
LogP2.38
Rot. Bonds4

About 1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea

1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea (PubChem CID 100860084) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea
PubChem CID100860084
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea
SMILESCO[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H](C)C1CC1
InChIInChI=1S/C14H26N2O2/c1-10(11-8-9-11)16(2)14(17)15-12-6-4-5-7-13(12)18-3/h10-13H,4-9H2,1-3H3,(H,15,17)/t10-,12-,13+/m0/s1
InChIKeyCPPZMDMRPXUZFT-WCFLWFBJSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-3-ethoxypiperidine-1-carboxamide
CID 71937232
1-(2-Methoxycyclohexyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 72116468
1-(2-Methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 84588916
1-(2-Fluoroethyl)-3-(2-methoxycyclohexyl)urea
CID 88976772
1-(2-Fluoroethyl)-3-(2-propoxycyclohexyl)urea
CID 88976838
1-Cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea
CID 58376008
1-Hydroxy-1-(2-methoxycyclohexyl)-3-propylurea
CID 59155360
[(1R,2R)-2-butoxycyclohexyl]urea
CID 68086217
1-(1-Cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 47221382
1-[2-(4-Aminocyclohexyl)oxyethyl]-3-cyclopropylurea
CID 55252426
1-Cyclohexyl-1-(cyclopropylmethyl)-3-(2-methoxyethyl)urea
CID 60234873
1-(1-Cyclopropylethyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 60455859

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea (CID 100860084) is 1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea is CO[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H](C)C1CC1.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea?
The InChIKey is CPPZMDMRPXUZFT-WCFLWFBJSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(11-8-9-11)16(2)14(17)15-12-6-4-5-7-13(12)18-3/h10-13H,4-9H2,1-3H3,(H,15,17)/t10-,12-,13+/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea?
1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea has a molecular weight of 254.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-3-[(1S,2R)-2-methoxycyclohexyl]-1-methylurea is sourced from PubChem (CID 100860084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).