ethane;N-methylacetamide;naphthalene

C17H27NO — CID 91213695

IUPACethane;N-methylacetamide;naphthalene
SMILESCC.CC.CNC(C)=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C3H7NO.2C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3(5)4-2;2*1-2/h1-8H;1-2H3,(H,4,5);2*1-2H3
InChIKeyYTZJFYWXKMGCIS-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.64
Rot. Bonds

About ethane;N-methylacetamide;naphthalene

ethane;N-methylacetamide;naphthalene (PubChem CID 91213695) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is ethane;N-methylacetamide;naphthalene.

Molecular Properties

Compound Nameethane;N-methylacetamide;naphthalene
PubChem CID91213695
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Nameethane;N-methylacetamide;naphthalene
SMILESCC.CC.CNC(C)=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C3H7NO.2C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3(5)4-2;2*1-2/h1-8H;1-2H3,(H,4,5);2*1-2H3
InChIKeyYTZJFYWXKMGCIS-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylacetamide;naphthalene?
The IUPAC name of ethane;N-methylacetamide;naphthalene (CID 91213695) is ethane;N-methylacetamide;naphthalene.
What is the SMILES notation for ethane;N-methylacetamide;naphthalene?
The canonical SMILES for ethane;N-methylacetamide;naphthalene is CC.CC.CNC(C)=O.c1ccc2ccccc2c1.
What is the InChIKey of ethane;N-methylacetamide;naphthalene?
The InChIKey is YTZJFYWXKMGCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C3H7NO.2C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3(5)4-2;2*1-2/h1-8H;1-2H3,(H,4,5);2*1-2H3.
What are the key properties of ethane;N-methylacetamide;naphthalene?
ethane;N-methylacetamide;naphthalene has a molecular weight of 261.41 g/mol, XLogP of 4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylacetamide;naphthalene is sourced from PubChem (CID 91213695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).