benzene;ethane;N-(methylaminomethyl)acetamide

C12H22N2O — CID 91116107

IUPACbenzene;ethane;N-(methylaminomethyl)acetamide
SMILESCC.CNCNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C4H10N2O.C2H6/c1-2-4-6-5-3-1;1-4(7)6-3-5-2;1-2/h1-6H;5H,3H2,1-2H3,(H,6,7);1-2H3
InChIKeyCFKQENYKBSTPDY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.01
Rot. Bonds2

About benzene;ethane;N-(methylaminomethyl)acetamide

benzene;ethane;N-(methylaminomethyl)acetamide (PubChem CID 91116107) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is benzene;ethane;N-(methylaminomethyl)acetamide.

Molecular Properties

Compound Namebenzene;ethane;N-(methylaminomethyl)acetamide
PubChem CID91116107
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Namebenzene;ethane;N-(methylaminomethyl)acetamide
SMILESCC.CNCNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C4H10N2O.C2H6/c1-2-4-6-5-3-1;1-4(7)6-3-5-2;1-2/h1-6H;5H,3H2,1-2H3,(H,6,7);1-2H3
InChIKeyCFKQENYKBSTPDY-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Acetamide, N,N'-cinnamylidenedi-
CID 6444559
2-fluoro-N-methyl-2-phenylselanylacetamide
CID 11413907
N-methyl-2-phenylselanylacetamide
CID 12156640
N-[[dimethyl(phenyl)silyl]methyl]acetamide
CID 262877
Benzene;propan-2-ylurea
CID 20243226
Benzene;1,1-dimethyl-3-propan-2-ylurea
CID 20363267
Benzene;1-methyl-3-propan-2-ylurea
CID 20363277
Benzene;methylurea
CID 21413609
N-Methylacetamide--benzene (1/1)
CID 22601179
benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide
CID 54044573
benzene;ethane;N-methylacetamide
CID 54573873
N-(1-aminohexyl)acetamide;azane;benzene
CID 67788948

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;N-(methylaminomethyl)acetamide?
The IUPAC name of benzene;ethane;N-(methylaminomethyl)acetamide (CID 91116107) is benzene;ethane;N-(methylaminomethyl)acetamide.
What is the SMILES notation for benzene;ethane;N-(methylaminomethyl)acetamide?
The canonical SMILES for benzene;ethane;N-(methylaminomethyl)acetamide is CC.CNCNC(C)=O.c1ccccc1.
What is the InChIKey of benzene;ethane;N-(methylaminomethyl)acetamide?
The InChIKey is CFKQENYKBSTPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H10N2O.C2H6/c1-2-4-6-5-3-1;1-4(7)6-3-5-2;1-2/h1-6H;5H,3H2,1-2H3,(H,6,7);1-2H3.
What are the key properties of benzene;ethane;N-(methylaminomethyl)acetamide?
benzene;ethane;N-(methylaminomethyl)acetamide has a molecular weight of 210.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;N-(methylaminomethyl)acetamide is sourced from PubChem (CID 91116107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).