benzene;ethane;N-methylpropanamide

C12H21NO — CID 91076691

IUPACbenzene;ethane;N-methylpropanamide
SMILESCC.CCC(=O)NC.c1ccccc1
InChIInChI=1S/C6H6.C4H9NO.C2H6/c1-2-4-6-5-3-1;1-3-4(6)5-2;1-2/h1-6H;3H2,1-2H3,(H,5,6);1-2H3
InChIKeyZFPYPWVMNNCWFI-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.86
Rot. Bonds1

About benzene;ethane;N-methylpropanamide

benzene;ethane;N-methylpropanamide (PubChem CID 91076691) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is benzene;ethane;N-methylpropanamide.

Molecular Properties

Compound Namebenzene;ethane;N-methylpropanamide
PubChem CID91076691
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namebenzene;ethane;N-methylpropanamide
SMILESCC.CCC(=O)NC.c1ccccc1
InChIInChI=1S/C6H6.C4H9NO.C2H6/c1-2-4-6-5-3-1;1-3-4(6)5-2;1-2/h1-6H;3H2,1-2H3,(H,5,6);1-2H3
InChIKeyZFPYPWVMNNCWFI-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azetidinone, 4-(phenylseleno)-
CID 3278057
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-(1-phenylselanylhexan-2-yl)acetamide
CID 12758741
(E)-4-phenyl-N-propylbut-3-enamide
CID 12872264
N-((Diphenylphosphoryl)methyl)acetamide
CID 13736987
2,2-dimethyl-N-[(E)-4-phenylbut-3-enyl]propanamide
CID 14547763
diphenyl-N-methylcarbamoylmethylphosphine
CID 15199033
N-(1-phenylselanylheptan-2-yl)acetamide
CID 85587493
N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide
CID 101244501

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;N-methylpropanamide?
The IUPAC name of benzene;ethane;N-methylpropanamide (CID 91076691) is benzene;ethane;N-methylpropanamide.
What is the SMILES notation for benzene;ethane;N-methylpropanamide?
The canonical SMILES for benzene;ethane;N-methylpropanamide is CC.CCC(=O)NC.c1ccccc1.
What is the InChIKey of benzene;ethane;N-methylpropanamide?
The InChIKey is ZFPYPWVMNNCWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H9NO.C2H6/c1-2-4-6-5-3-1;1-3-4(6)5-2;1-2/h1-6H;3H2,1-2H3,(H,5,6);1-2H3.
What are the key properties of benzene;ethane;N-methylpropanamide?
benzene;ethane;N-methylpropanamide has a molecular weight of 195.31 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;N-methylpropanamide is sourced from PubChem (CID 91076691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).