phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate

C15H17NO4 — CID 90604967

IUPACphenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
SMILESCC(O)(CNC(=O)Oc1ccccc1)Cc1ccco1
InChIInChI=1S/C15H17NO4/c1-15(18,10-13-8-5-9-19-13)11-16-14(17)20-12-6-3-2-4-7-12/h2-9,18H,10-11H2,1H3,(H,16,17)
InChIKeyCIZINQCPJDRMBN-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.36
Rot. Bonds5

About phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate

phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate (PubChem CID 90604967) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
PubChem CID90604967
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namephenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
SMILESCC(O)(CNC(=O)Oc1ccccc1)Cc1ccco1
InChIInChI=1S/C15H17NO4/c1-15(18,10-13-8-5-9-19-13)11-16-14(17)20-12-6-3-2-4-7-12/h2-9,18H,10-11H2,1H3,(H,16,17)
InChIKeyCIZINQCPJDRMBN-UHFFFAOYSA-N
XLogP2.36
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
CID 99872555
phenyl N-(2-hydroxy-2-methylbutyl)carbamate
CID 65110904
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2,2-diphenylacetamide
CID 90605067
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate
CID 99872592
phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate
CID 103712783
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide
CID 90605215
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide
CID 90605187
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 99872573
4-(dimethylamino)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90604997
1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605304

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate?
The IUPAC name of phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate (CID 90604967) is phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate.
What is the SMILES notation for phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate?
The canonical SMILES for phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate is CC(O)(CNC(=O)Oc1ccccc1)Cc1ccco1.
What is the InChIKey of phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate?
The InChIKey is CIZINQCPJDRMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-15(18,10-13-8-5-9-19-13)11-16-14(17)20-12-6-3-2-4-7-12/h2-9,18H,10-11H2,1H3,(H,16,17).
What are the key properties of phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate?
phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate has a molecular weight of 275.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate is sourced from PubChem (CID 90604967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).