N-(N-methyl-C-propylcarbonimidoyl)acetamide

C7H14N2O — CID 88928598

IUPACN-(N-methyl-C-propylcarbonimidoyl)acetamide
SMILESCCC/C(=N\C)NC(C)=O
InChIInChI=1S/C7H14N2O/c1-4-5-7(8-3)9-6(2)10/h4-5H2,1-3H3,(H,8,9,10)
InChIKeyNAFGGJOHJJPRLA-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.95
Rot. Bonds2

About N-(N-methyl-C-propylcarbonimidoyl)acetamide

N-(N-methyl-C-propylcarbonimidoyl)acetamide (PubChem CID 88928598) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(N-methyl-C-propylcarbonimidoyl)acetamide.

Molecular Properties

Compound NameN-(N-methyl-C-propylcarbonimidoyl)acetamide
PubChem CID88928598
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(N-methyl-C-propylcarbonimidoyl)acetamide
SMILESCCC/C(=N\C)NC(C)=O
InChIInChI=1S/C7H14N2O/c1-4-5-7(8-3)9-6(2)10/h4-5H2,1-3H3,(H,8,9,10)
InChIKeyNAFGGJOHJJPRLA-UHFFFAOYSA-N
XLogP0.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-3,5-dihydroimidazol-4-one
CID 57435862
N-(5-fluoro-2,5-dihydropyrimidin-4-yl)acetamide
CID 123329789
N-(2-fluorobutanimidoyl)acetamide
CID 173645008
2-butyl-3,5-dihydro-4H-imidazol-4-one
CID 10909654
2-Propyl-1H-imidazol-4(5H)-one
CID 19391756
2-ethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 69298206
N-(C,N-dibutylcarbonimidoyl)acetamide
CID 87419306
2-Methyl-1,4,5,6-tetrahydro-1,3-diazepin-7-one
CID 89068417
N-(C-heptyl-N-methylcarbonimidoyl)acetamide
CID 89098173
N-(C,N-dimethylcarbonimidoyl)propanamide
CID 89227228
N-(C,N-dimethylcarbonimidoyl)acetamide
CID 89494913
N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide
CID 118327148

Frequently Asked Questions

What is the IUPAC name of N-(N-methyl-C-propylcarbonimidoyl)acetamide?
The IUPAC name of N-(N-methyl-C-propylcarbonimidoyl)acetamide (CID 88928598) is N-(N-methyl-C-propylcarbonimidoyl)acetamide.
What is the SMILES notation for N-(N-methyl-C-propylcarbonimidoyl)acetamide?
The canonical SMILES for N-(N-methyl-C-propylcarbonimidoyl)acetamide is CCC/C(=N\C)NC(C)=O.
What is the InChIKey of N-(N-methyl-C-propylcarbonimidoyl)acetamide?
The InChIKey is NAFGGJOHJJPRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-5-7(8-3)9-6(2)10/h4-5H2,1-3H3,(H,8,9,10).
What are the key properties of N-(N-methyl-C-propylcarbonimidoyl)acetamide?
N-(N-methyl-C-propylcarbonimidoyl)acetamide has a molecular weight of 142.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N-methyl-C-propylcarbonimidoyl)acetamide is sourced from PubChem (CID 88928598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).