phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate

C17H15NO3 — CID 110425242

IUPACphenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate
SMILESO=C(Nc1ccc(C(=O)C2CC2)cc1)Oc1ccccc1
InChIInChI=1S/C17H15NO3/c19-16(12-6-7-12)13-8-10-14(11-9-13)18-17(20)21-15-4-2-1-3-5-15/h1-5,8-12H,6-7H2,(H,18,20)
InChIKeyVOWMQYIZMRDSEO-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.89
Rot. Bonds4

About phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate

phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate (PubChem CID 110425242) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate
PubChem CID110425242
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namephenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate
SMILESO=C(Nc1ccc(C(=O)C2CC2)cc1)Oc1ccccc1
InChIInChI=1S/C17H15NO3/c19-16(12-6-7-12)13-8-10-14(11-9-13)18-17(20)21-15-4-2-1-3-5-15/h1-5,8-12H,6-7H2,(H,18,20)
InChIKeyVOWMQYIZMRDSEO-UHFFFAOYSA-N
XLogP3.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate?
The IUPAC name of phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate (CID 110425242) is phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate?
The canonical SMILES for phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate is O=C(Nc1ccc(C(=O)C2CC2)cc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate?
The InChIKey is VOWMQYIZMRDSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16(12-6-7-12)13-8-10-14(11-9-13)18-17(20)21-15-4-2-1-3-5-15/h1-5,8-12H,6-7H2,(H,18,20).
What are the key properties of phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate?
phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate has a molecular weight of 281.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate is sourced from PubChem (CID 110425242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).