N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide

C10H20N2O — CID 76852170

IUPACN-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide
SMILESCC/N=C(\CC)N(CC)C(=O)CC
InChIInChI=1S/C10H20N2O/c1-5-9(11-7-3)12(8-4)10(13)6-2/h5-8H2,1-4H3/b11-9+
InChIKeyJJHGKAIDMZNCDT-PKNBQFBNSA-N
MW184.28 g/mol
LogP2.07
Rot. Bonds4

About N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide

N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide (PubChem CID 76852170) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide
PubChem CID76852170
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide
SMILESCC/N=C(\CC)N(CC)C(=O)CC
InChIInChI=1S/C10H20N2O/c1-5-9(11-7-3)12(8-4)10(13)6-2/h5-8H2,1-4H3/b11-9+
InChIKeyJJHGKAIDMZNCDT-PKNBQFBNSA-N
XLogP2.07
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide?
The IUPAC name of N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide (CID 76852170) is N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide.
What is the SMILES notation for N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide?
The canonical SMILES for N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide is CC/N=C(\CC)N(CC)C(=O)CC.
What is the InChIKey of N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide?
The InChIKey is JJHGKAIDMZNCDT-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-9(11-7-3)12(8-4)10(13)6-2/h5-8H2,1-4H3/b11-9+.
What are the key properties of N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide?
N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide has a molecular weight of 184.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C,N-diethylcarbonimidoyl)-N-ethylpropanamide is sourced from PubChem (CID 76852170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).