1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea

C12H16N2O2 — CID 47159768

IUPAC1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCONC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C12H16N2O2/c1-16-14-11(15)13-9-12(7-8-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,14,15)
InChIKeyVIEMQHHVDXYSAF-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.58
Rot. Bonds4

About 1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea

1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 47159768) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID47159768
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCONC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C12H16N2O2/c1-16-14-11(15)13-9-12(7-8-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,14,15)
InChIKeyVIEMQHHVDXYSAF-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.58
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

1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56806394
ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate
CID 110471120
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
ethyl 3-oxo-3-[(1-phenylcyclopropyl)methylamino]propanoate
CID 110474208
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110443182
methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
CID 30522713
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea (CID 47159768) is 1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea is CONC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is VIEMQHHVDXYSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-14-11(15)13-9-12(7-8-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,14,15).
What are the key properties of 1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea?
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 220.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 47159768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).