benzene;N-(methylaminomethyl)acetamide;propan-2-one

C13H22N2O2 — CID 90888197

IUPACbenzene;N-(methylaminomethyl)acetamide;propan-2-one
SMILESCC(C)=O.CNCNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C4H10N2O.C3H6O/c1-2-4-6-5-3-1;1-4(7)6-3-5-2;1-3(2)4/h1-6H;5H,3H2,1-2H3,(H,6,7);1-2H3
InChIKeyFUHKSGZFKWGCGI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.58
Rot. Bonds2

About benzene;N-(methylaminomethyl)acetamide;propan-2-one

benzene;N-(methylaminomethyl)acetamide;propan-2-one (PubChem CID 90888197) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is benzene;N-(methylaminomethyl)acetamide;propan-2-one.

Molecular Properties

Compound Namebenzene;N-(methylaminomethyl)acetamide;propan-2-one
PubChem CID90888197
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Namebenzene;N-(methylaminomethyl)acetamide;propan-2-one
SMILESCC(C)=O.CNCNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C4H10N2O.C3H6O/c1-2-4-6-5-3-1;1-4(7)6-3-5-2;1-3(2)4/h1-6H;5H,3H2,1-2H3,(H,6,7);1-2H3
InChIKeyFUHKSGZFKWGCGI-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzene;1,1-dimethyl-3-propan-2-ylurea
CID 20363267
Benzene;1-methyl-3-propan-2-ylurea
CID 20363277
N-Methylacetamide--benzene (1/1)
CID 22601179
benzene;ethane;N-methylacetamide
CID 54573873
N-(1-aminohexyl)acetamide;azane;benzene
CID 67788948
Benzene;1,3-dimethylurea;ethane
CID 90884129
N-(acetamidomethyl)acetamide;benzene;propan-2-one
CID 90957295
benzene;N-methylacetamide;methylurea;propane
CID 91073414
benzene;ethane;N-methylpropanamide
CID 91076691
benzene;ethane;N-(methylaminomethyl)acetamide
CID 91116107
benzene;ethane;methanamine;N-methylacetamide
CID 91203487
Benzene;ethane;1,1,3-trimethylurea
CID 91245695

Frequently Asked Questions

What is the IUPAC name of benzene;N-(methylaminomethyl)acetamide;propan-2-one?
The IUPAC name of benzene;N-(methylaminomethyl)acetamide;propan-2-one (CID 90888197) is benzene;N-(methylaminomethyl)acetamide;propan-2-one.
What is the SMILES notation for benzene;N-(methylaminomethyl)acetamide;propan-2-one?
The canonical SMILES for benzene;N-(methylaminomethyl)acetamide;propan-2-one is CC(C)=O.CNCNC(C)=O.c1ccccc1.
What is the InChIKey of benzene;N-(methylaminomethyl)acetamide;propan-2-one?
The InChIKey is FUHKSGZFKWGCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H10N2O.C3H6O/c1-2-4-6-5-3-1;1-4(7)6-3-5-2;1-3(2)4/h1-6H;5H,3H2,1-2H3,(H,6,7);1-2H3.
What are the key properties of benzene;N-(methylaminomethyl)acetamide;propan-2-one?
benzene;N-(methylaminomethyl)acetamide;propan-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-(methylaminomethyl)acetamide;propan-2-one is sourced from PubChem (CID 90888197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).