CID 59117847

C16H17NO — CID 59117847

IUPAC—
SMILES[CH]CC(=O)C(Cc1cccc2ccccc12)NC
InChIInChI=1S/C16H17NO/c1-3-16(18)15(17-2)11-13-9-6-8-12-7-4-5-10-14(12)13/h1,4-10,15,17H,3,11H2,2H3
InChIKeyMJDRFKBMKWVZPU-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.64
Rot. Bonds5

About CID 59117847

CID 59117847 (PubChem CID 59117847) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol.

Molecular Properties

Compound NameCID 59117847
PubChem CID59117847
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name—
SMILES[CH]CC(=O)C(Cc1cccc2ccccc12)NC
InChIInChI=1S/C16H17NO/c1-3-16(18)15(17-2)11-13-9-6-8-12-7-4-5-10-14(12)13/h1,4-10,15,17H,3,11H2,2H3
InChIKeyMJDRFKBMKWVZPU-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-methyl-1-naphthalen-1-ylbutan-2-one
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CID 100508937
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
amino 2-methyl-3-naphthalen-1-ylpropanoate
CID 174381788
(2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid
CID 67206691
(2R)-2-amino-3-naphthalen-1-yl-N-(2-phenylethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of CID 59117847?
The IUPAC name of CID 59117847 (CID 59117847) is not available.
What is the SMILES notation for CID 59117847?
The canonical SMILES for CID 59117847 is [CH]CC(=O)C(Cc1cccc2ccccc12)NC.
What is the InChIKey of CID 59117847?
The InChIKey is MJDRFKBMKWVZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-3-16(18)15(17-2)11-13-9-6-8-12-7-4-5-10-14(12)13/h1,4-10,15,17H,3,11H2,2H3.
What are the key properties of CID 59117847?
CID 59117847 has a molecular weight of 239.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59117847 is sourced from PubChem (CID 59117847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).