ethane;(3S)-3-methylpentanamide;1-phenylethanone

C16H27NO2 — CID 163293272

IUPACethane;(3S)-3-methylpentanamide;1-phenylethanone
SMILESCC.CC(=O)c1ccccc1.CC[C@H](C)CC(N)=O
InChIInChI=1S/C8H8O.C6H13NO.C2H6/c1-7(9)8-5-3-2-4-6-8;1-3-5(2)4-6(7)8;1-2/h2-6H,1H3;5H,3-4H2,1-2H3,(H2,7,8);1-2H3/t;5-;/m.0./s1
InChIKeyHQYMGPQFNQWVJC-NXAOXGSFSA-N
MW265.40 g/mol
LogP3.82
Rot. Bonds4

About ethane;(3S)-3-methylpentanamide;1-phenylethanone

ethane;(3S)-3-methylpentanamide;1-phenylethanone (PubChem CID 163293272) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is ethane;(3S)-3-methylpentanamide;1-phenylethanone.

Molecular Properties

Compound Nameethane;(3S)-3-methylpentanamide;1-phenylethanone
PubChem CID163293272
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Nameethane;(3S)-3-methylpentanamide;1-phenylethanone
SMILESCC.CC(=O)c1ccccc1.CC[C@H](C)CC(N)=O
InChIInChI=1S/C8H8O.C6H13NO.C2H6/c1-7(9)8-5-3-2-4-6-8;1-3-5(2)4-6(7)8;1-2/h2-6H,1H3;5H,3-4H2,1-2H3,(H2,7,8);1-2H3/t;5-;/m.0./s1
InChIKeyHQYMGPQFNQWVJC-NXAOXGSFSA-N
XLogP3.82
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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hexane;1-phenylethanone
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Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-3-methylpentanamide;1-phenylethanone?
The IUPAC name of ethane;(3S)-3-methylpentanamide;1-phenylethanone (CID 163293272) is ethane;(3S)-3-methylpentanamide;1-phenylethanone.
What is the SMILES notation for ethane;(3S)-3-methylpentanamide;1-phenylethanone?
The canonical SMILES for ethane;(3S)-3-methylpentanamide;1-phenylethanone is CC.CC(=O)c1ccccc1.CC[C@H](C)CC(N)=O.
What is the InChIKey of ethane;(3S)-3-methylpentanamide;1-phenylethanone?
The InChIKey is HQYMGPQFNQWVJC-NXAOXGSFSA-N. The full InChI is InChI=1S/C8H8O.C6H13NO.C2H6/c1-7(9)8-5-3-2-4-6-8;1-3-5(2)4-6(7)8;1-2/h2-6H,1H3;5H,3-4H2,1-2H3,(H2,7,8);1-2H3/t;5-;/m.0./s1.
What are the key properties of ethane;(3S)-3-methylpentanamide;1-phenylethanone?
ethane;(3S)-3-methylpentanamide;1-phenylethanone has a molecular weight of 265.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-methylpentanamide;1-phenylethanone is sourced from PubChem (CID 163293272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).