benzene;ethane;methanamine;N-methylacetamide

C12H24N2O — CID 91203487

IUPACbenzene;ethane;methanamine;N-methylacetamide
SMILESCC.CN.CNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO.C2H6.CH5N/c1-2-4-6-5-3-1;1-3(5)4-2;2*1-2/h1-6H;1-2H3,(H,4,5);1-2H3;2H2,1H3
InChIKeyJDYGVHSYSDKRFE-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.04
Rot. Bonds

About benzene;ethane;methanamine;N-methylacetamide

benzene;ethane;methanamine;N-methylacetamide (PubChem CID 91203487) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is benzene;ethane;methanamine;N-methylacetamide.

Molecular Properties

Compound Namebenzene;ethane;methanamine;N-methylacetamide
PubChem CID91203487
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Namebenzene;ethane;methanamine;N-methylacetamide
SMILESCC.CN.CNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO.C2H6.CH5N/c1-2-4-6-5-3-1;1-3(5)4-2;2*1-2/h1-6H;1-2H3,(H,4,5);1-2H3;2H2,1H3
InChIKeyJDYGVHSYSDKRFE-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-methyl-2-phenylselanylacetamide
CID 11413907
N-methyl-2-phenylselanylacetamide
CID 12156640
N-[1-[dimethyl(phenyl)silyl]propyl]acetamide
CID 11075395
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
N-methyl-2-(diphenylphosphoryl)acetamide
CID 85547820
3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide
CID 134858172
N-(1-phenylselanylpentyl)acetamide
CID 139264953
N-(1-phenylselanylheptyl)acetamide
CID 139264954

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methanamine;N-methylacetamide?
The IUPAC name of benzene;ethane;methanamine;N-methylacetamide (CID 91203487) is benzene;ethane;methanamine;N-methylacetamide.
What is the SMILES notation for benzene;ethane;methanamine;N-methylacetamide?
The canonical SMILES for benzene;ethane;methanamine;N-methylacetamide is CC.CN.CNC(C)=O.c1ccccc1.
What is the InChIKey of benzene;ethane;methanamine;N-methylacetamide?
The InChIKey is JDYGVHSYSDKRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H7NO.C2H6.CH5N/c1-2-4-6-5-3-1;1-3(5)4-2;2*1-2/h1-6H;1-2H3,(H,4,5);1-2H3;2H2,1H3.
What are the key properties of benzene;ethane;methanamine;N-methylacetamide?
benzene;ethane;methanamine;N-methylacetamide has a molecular weight of 212.34 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methanamine;N-methylacetamide is sourced from PubChem (CID 91203487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).