1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea

C13H18N2O2 — CID 95632300

IUPAC1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
SMILESCONC(=O)N[C@H](Cc1ccccc1)C1CC1
InChIInChI=1S/C13H18N2O2/c1-17-15-13(16)14-12(11-7-8-11)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H2,14,15,16)/t12-/m1/s1
InChIKeyXHGOKCIWUONUTN-GFCCVEGCSA-N
MW234.30 g/mol
LogP1.87
Rot. Bonds5

About 1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea

1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea (PubChem CID 95632300) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea.

Molecular Properties

Compound Name1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
PubChem CID95632300
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
SMILESCONC(=O)N[C@H](Cc1ccccc1)C1CC1
InChIInChI=1S/C13H18N2O2/c1-17-15-13(16)14-12(11-7-8-11)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H2,14,15,16)/t12-/m1/s1
InChIKeyXHGOKCIWUONUTN-GFCCVEGCSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
CID 111435397
1-(1-cyclopropyl-2-phenylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618937
N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide
CID 95773405
1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
CID 126776285
4-[[(1-cyclopropyl-2-phenylethyl)carbamoylamino]methyl]benzoic acid
CID 122002941
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea
CID 166237644
1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438906
3-[(1-cyclopropyl-2-phenylethyl)carbamoyl-methylamino]propanoic acid
CID 122002942
(2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119331086
7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride
CID 119796894
N-(1-cyclopropyl-2-phenylethyl)-4-ethoxypiperidine-1-carboxamide
CID 56793712

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea?
The IUPAC name of 1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea (CID 95632300) is 1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea.
What is the SMILES notation for 1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea?
The canonical SMILES for 1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea is CONC(=O)N[C@H](Cc1ccccc1)C1CC1.
What is the InChIKey of 1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea?
The InChIKey is XHGOKCIWUONUTN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-15-13(16)14-12(11-7-8-11)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H2,14,15,16)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea?
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea has a molecular weight of 234.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea is sourced from PubChem (CID 95632300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).