methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate

C19H19NO4 — CID 166595064

IUPACmethyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate
SMILESCOC(=O)C12C3C4C1C1C2C3C41C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-24-17(23)19-13-10-14(19)12-15(19)11(13)18(10,12)16(22)20-9(7-21)8-5-3-2-4-6-8/h2-6,9-15,21H,7H2,1H3,(H,20,22)
InChIKeyXCYQGBSNMOMZEX-UHFFFAOYSA-N
MW325.36 g/mol
LogP0.75
Rot. Bonds5

About methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate

methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate (PubChem CID 166595064) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate
PubChem CID166595064
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate
SMILESCOC(=O)C12C3C4C1C1C2C3C41C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-24-17(23)19-13-10-14(19)12-15(19)11(13)18(10,12)16(22)20-9(7-21)8-5-3-2-4-6-8/h2-6,9-15,21H,7H2,1H3,(H,20,22)
InChIKeyXCYQGBSNMOMZEX-UHFFFAOYSA-N
XLogP0.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate with MolForge

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Related Compounds

1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide
CID 114010313
N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide
CID 110001874
N-[(1S)-2-hydroxy-1-phenylethyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 110001954
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
[(2S,3R,4S,5S,6S)-2,3,5-triacetyloxy-6-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]oxan-4-yl] acetate
CID 127036815
4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103951352
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide
CID 106114237
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
methyl (E)-4,4,4-trifluoro-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-2-enoate
CID 102287562

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate?
The IUPAC name of methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate (CID 166595064) is methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate?
The canonical SMILES for methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate is COC(=O)C12C3C4C1C1C2C3C41C(=O)NC(CO)c1ccccc1.
What is the InChIKey of methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate?
The InChIKey is XCYQGBSNMOMZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-24-17(23)19-13-10-14(19)12-15(19)11(13)18(10,12)16(22)20-9(7-21)8-5-3-2-4-6-8/h2-6,9-15,21H,7H2,1H3,(H,20,22).
What are the key properties of methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate?
methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-hydroxy-1-phenylethyl)carbamoyl]cubane-1-carboxylate is sourced from PubChem (CID 166595064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).