benzene;ethane;N-methylacetamide

C11H19NO — CID 54573873

IUPACbenzene;ethane;N-methylacetamide
SMILESCC.CNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO.C2H6/c1-2-4-6-5-3-1;1-3(5)4-2;1-2/h1-6H;1-2H3,(H,4,5);1-2H3
InChIKeyZZEZZROSKIOOPE-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.47
Rot. Bonds

About benzene;ethane;N-methylacetamide

benzene;ethane;N-methylacetamide (PubChem CID 54573873) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is benzene;ethane;N-methylacetamide.

Molecular Properties

Compound Namebenzene;ethane;N-methylacetamide
PubChem CID54573873
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namebenzene;ethane;N-methylacetamide
SMILESCC.CNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO.C2H6/c1-2-4-6-5-3-1;1-3(5)4-2;1-2/h1-6H;1-2H3,(H,4,5);1-2H3
InChIKeyZZEZZROSKIOOPE-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azetidinone, 4-(phenylseleno)-
CID 3278057
(E)-N,3-dimethyl-5-phenylpent-2-enamide
CID 10910613
2-(Phenylselanyl)acetamide
CID 12557564
2-fluoro-N-methyl-2-phenylselanylacetamide
CID 11413907
N-methyl-2-phenylselanylacetamide
CID 12156640
N-[1-[dimethyl(phenyl)silyl]propyl]acetamide
CID 11075395
Se-phenyl N-heptylcarbamoselenoate
CID 11130281
N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide
CID 11257483
N-(1-phenylselanylhexan-2-yl)acetamide
CID 12758741
N-phenylselanylacetamide
CID 13587047
N-((Diphenylphosphoryl)methyl)acetamide
CID 13736987
diphenyl-N-methylcarbamoylmethylphosphine
CID 15199033

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;N-methylacetamide?
The IUPAC name of benzene;ethane;N-methylacetamide (CID 54573873) is benzene;ethane;N-methylacetamide.
What is the SMILES notation for benzene;ethane;N-methylacetamide?
The canonical SMILES for benzene;ethane;N-methylacetamide is CC.CNC(C)=O.c1ccccc1.
What is the InChIKey of benzene;ethane;N-methylacetamide?
The InChIKey is ZZEZZROSKIOOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H7NO.C2H6/c1-2-4-6-5-3-1;1-3(5)4-2;1-2/h1-6H;1-2H3,(H,4,5);1-2H3.
What are the key properties of benzene;ethane;N-methylacetamide?
benzene;ethane;N-methylacetamide has a molecular weight of 181.28 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;N-methylacetamide is sourced from PubChem (CID 54573873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).