[(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate

C16H16N2O2 — CID 6373095

IUPAC[(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate
SMILESC/C(Cc1ccccc1)=N/OC(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O2/c1-13(12-14-8-4-2-5-9-14)18-20-16(19)17-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,17,19)/b18-13-
InChIKeyKLDPELRNJQVVPB-AQTBWJFISA-N
MW268.32 g/mol
LogP3.85
Rot. Bonds4

About [(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate

[(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate (PubChem CID 6373095) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate.

Molecular Properties

Compound Name[(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate
PubChem CID6373095
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name[(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate
SMILESC/C(Cc1ccccc1)=N/OC(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O2/c1-13(12-14-8-4-2-5-9-14)18-20-16(19)17-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,17,19)/b18-13-
InChIKeyKLDPELRNJQVVPB-AQTBWJFISA-N
XLogP3.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate?
The IUPAC name of [(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate (CID 6373095) is [(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate.
What is the SMILES notation for [(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate?
The canonical SMILES for [(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate is C/C(Cc1ccccc1)=N/OC(=O)Nc1ccccc1.
What is the InChIKey of [(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate?
The InChIKey is KLDPELRNJQVVPB-AQTBWJFISA-N. The full InChI is InChI=1S/C16H16N2O2/c1-13(12-14-8-4-2-5-9-14)18-20-16(19)17-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,17,19)/b18-13-.
What are the key properties of [(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate?
[(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate has a molecular weight of 268.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate is sourced from PubChem (CID 6373095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).