CID 101349022

C16H16NO — CID 101349022

IUPAC—
SMILESC=C([O])N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16NO/c1-14(18)17(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,1,12-13H2
InChIKeyIZYZMGFFINAUES-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.59
Rot. Bonds5

About CID 101349022

CID 101349022 (PubChem CID 101349022) has the molecular formula C16H16NO and a molecular weight of 238.31 g/mol.

Molecular Properties

Compound NameCID 101349022
PubChem CID101349022
Molecular FormulaC16H16NO
Molecular Weight238.31 g/mol
Exact Mass238.12
IUPAC Name—
SMILESC=C([O])N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16NO/c1-14(18)17(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,1,12-13H2
InChIKeyIZYZMGFFINAUES-UHFFFAOYSA-N
XLogP3.59
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

CID 101349021
CID 101349021
bis(N,N-dibenzylcarbamodithioate);zinc
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N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
2-amino-N,N-dibenzylacetamide
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4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
(111C)methyl N,N-dibenzylcarbamate
CID 10106358

Frequently Asked Questions

What is the IUPAC name of CID 101349022?
The IUPAC name of CID 101349022 (CID 101349022) is not available.
What is the SMILES notation for CID 101349022?
The canonical SMILES for CID 101349022 is C=C([O])N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of CID 101349022?
The InChIKey is IZYZMGFFINAUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NO/c1-14(18)17(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,1,12-13H2.
What are the key properties of CID 101349022?
CID 101349022 has a molecular weight of 238.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101349022 is sourced from PubChem (CID 101349022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).