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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).