1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea

C18H20N2O3 — CID 22844514

IUPAC1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea
SMILESCc1cccc(Oc2cccc([C@@H]3C[C@H]3CN(O)C(N)=O)c2)c1
InChIInChI=1S/C18H20N2O3/c1-12-4-2-6-15(8-12)23-16-7-3-5-13(9-16)17-10-14(17)11-20(22)18(19)21/h2-9,14,17,22H,10-11H2,1H3,(H2,19,21)/t14-,17-/m0/s1
InChIKeyKCSNYONXBFICDK-YOEHRIQHSA-N
MW312.37 g/mol
LogP3.66
Rot. Bonds5

About 1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea

1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea (PubChem CID 22844514) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea
PubChem CID22844514
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea
SMILESCc1cccc(Oc2cccc([C@@H]3C[C@H]3CN(O)C(N)=O)c2)c1
InChIInChI=1S/C18H20N2O3/c1-12-4-2-6-15(8-12)23-16-7-3-5-13(9-16)17-10-14(17)11-20(22)18(19)21/h2-9,14,17,22H,10-11H2,1H3,(H2,19,21)/t14-,17-/m0/s1
InChIKeyKCSNYONXBFICDK-YOEHRIQHSA-N
XLogP3.66
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]urea
CID 15015094
1-[[(1R,2R)-2-[3-(4-ethylphenoxy)phenyl]cyclopropyl]methyl]-1,3-dihydroxy-3-methylurea
CID 22844518
1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea
CID 57209733
1-hydroxy-1-[[2-(3-pyridin-2-yloxyphenyl)cyclopropyl]methyl]thiourea
CID 23931240
1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea
CID 19894244
1-hydroxy-1-[[2-[4-(1-phenylethoxy)phenyl]cyclopropyl]methyl]urea
CID 19894164
1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea
CID 57015699
[2-(3-phenoxyphenyl)cyclopropyl]methanamine
CID 62708512
1-[[2-(furan-3-yl)cyclopropyl]methyl]-1-hydroxyurea
CID 19894214
1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea
CID 18646413
1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene
CID 163917295
1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea
CID 18646331

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea?
The IUPAC name of 1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea (CID 22844514) is 1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea?
The canonical SMILES for 1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea is Cc1cccc(Oc2cccc([C@@H]3C[C@H]3CN(O)C(N)=O)c2)c1.
What is the InChIKey of 1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea?
The InChIKey is KCSNYONXBFICDK-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-4-2-6-15(8-12)23-16-7-3-5-13(9-16)17-10-14(17)11-20(22)18(19)21/h2-9,14,17,22H,10-11H2,1H3,(H2,19,21)/t14-,17-/m0/s1.
What are the key properties of 1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea?
1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea has a molecular weight of 312.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea is sourced from PubChem (CID 22844514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).