N-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide

C9H20N4O — CID 103111148

IUPACN-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide
SMILESCC/N=C(\N)NC(C)C(=O)N(C)CC
InChIInChI=1S/C9H20N4O/c1-5-11-9(10)12-7(3)8(14)13(4)6-2/h7H,5-6H2,1-4H3,(H3,10,11,12)
InChIKeyABECUPABNMVNPO-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.22
Rot. Bonds4

About N-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide

N-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide (PubChem CID 103111148) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide
PubChem CID103111148
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide
SMILESCC/N=C(\N)NC(C)C(=O)N(C)CC
InChIInChI=1S/C9H20N4O/c1-5-11-9(10)12-7(3)8(14)13(4)6-2/h7H,5-6H2,1-4H3,(H3,10,11,12)
InChIKeyABECUPABNMVNPO-UHFFFAOYSA-N
XLogP-0.22
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
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-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide (CID 103111148) is N-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide is CC/N=C(\N)NC(C)C(=O)N(C)CC.
What is the InChIKey of N-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide?
The InChIKey is ABECUPABNMVNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-5-11-9(10)12-7(3)8(14)13(4)6-2/h7H,5-6H2,1-4H3,(H3,10,11,12).
What are the key properties of N-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide?
N-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide has a molecular weight of 200.29 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(N'-ethylcarbamimidoyl)amino]-N-methylpropanamide is sourced from PubChem (CID 103111148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).