N-(C-butyl-N-ethylcarbonimidoyl)propanamide

C10H20N2O — CID 163472578

IUPACN-(C-butyl-N-ethylcarbonimidoyl)propanamide
SMILESCCCC/C(=N\CC)NC(=O)CC
InChIInChI=1S/C10H20N2O/c1-4-7-8-9(11-6-3)12-10(13)5-2/h4-8H2,1-3H3,(H,11,12,13)
InChIKeyBXTGBXTYMBODQE-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.12
Rot. Bonds5

About N-(C-butyl-N-ethylcarbonimidoyl)propanamide

N-(C-butyl-N-ethylcarbonimidoyl)propanamide (PubChem CID 163472578) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(C-butyl-N-ethylcarbonimidoyl)propanamide.

Molecular Properties

Compound NameN-(C-butyl-N-ethylcarbonimidoyl)propanamide
PubChem CID163472578
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(C-butyl-N-ethylcarbonimidoyl)propanamide
SMILESCCCC/C(=N\CC)NC(=O)CC
InChIInChI=1S/C10H20N2O/c1-4-7-8-9(11-6-3)12-10(13)5-2/h4-8H2,1-3H3,(H,11,12,13)
InChIKeyBXTGBXTYMBODQE-UHFFFAOYSA-N
XLogP2.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.12
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

N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide
CID 53349377
2-butyl-3,5-dihydro-4H-imidazol-4-one
CID 10909654
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one;hydrochloride
CID 21750206
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one
CID 21750207
2-pentyl-4,5-dihydro-1H-pyrimidin-6-one
CID 67704551
2-Pentyl-1,4-dihydroimidazol-5-one
CID 67877839
N-(C,N-dibutylcarbonimidoyl)acetamide
CID 87419306
N-(N-methyl-C-propylcarbonimidoyl)acetamide
CID 88928598
N-(C-heptyl-N-methylcarbonimidoyl)acetamide
CID 89098173
N-(C,N-dimethylcarbonimidoyl)propanamide
CID 89227228
N-(C,N-dimethylcarbonimidoyl)pentanamide
CID 89227230
3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide
CID 91076526

Frequently Asked Questions

What is the IUPAC name of N-(C-butyl-N-ethylcarbonimidoyl)propanamide?
The IUPAC name of N-(C-butyl-N-ethylcarbonimidoyl)propanamide (CID 163472578) is N-(C-butyl-N-ethylcarbonimidoyl)propanamide.
What is the SMILES notation for N-(C-butyl-N-ethylcarbonimidoyl)propanamide?
The canonical SMILES for N-(C-butyl-N-ethylcarbonimidoyl)propanamide is CCCC/C(=N\CC)NC(=O)CC.
What is the InChIKey of N-(C-butyl-N-ethylcarbonimidoyl)propanamide?
The InChIKey is BXTGBXTYMBODQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-7-8-9(11-6-3)12-10(13)5-2/h4-8H2,1-3H3,(H,11,12,13).
What are the key properties of N-(C-butyl-N-ethylcarbonimidoyl)propanamide?
N-(C-butyl-N-ethylcarbonimidoyl)propanamide has a molecular weight of 184.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C-butyl-N-ethylcarbonimidoyl)propanamide is sourced from PubChem (CID 163472578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).