N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide

C11H24N4O — CID 62364813

IUPACN,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide
SMILESCCC/N=C(\N)NCCC(=O)N(CC)CC
InChIInChI=1S/C11H24N4O/c1-4-8-13-11(12)14-9-7-10(16)15(5-2)6-3/h4-9H2,1-3H3,(H3,12,13,14)
InChIKeySOIRXHOPOGAYCB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.56
Rot. Bonds7

About N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide

N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide (PubChem CID 62364813) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide
PubChem CID62364813
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide
SMILESCCC/N=C(\N)NCCC(=O)N(CC)CC
InChIInChI=1S/C11H24N4O/c1-4-8-13-11(12)14-9-7-10(16)15(5-2)6-3/h4-9H2,1-3H3,(H3,12,13,14)
InChIKeySOIRXHOPOGAYCB-UHFFFAOYSA-N
XLogP0.56
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.56
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,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide (CID 62364813) is N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide is CCC/N=C(\N)NCCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide?
The InChIKey is SOIRXHOPOGAYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-4-8-13-11(12)14-9-7-10(16)15(5-2)6-3/h4-9H2,1-3H3,(H3,12,13,14).
What are the key properties of N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide?
N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 62364813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).