N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide

C13H18N4O — CID 143410439

IUPACN-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide
SMILES[H]/N=C(/CCc1ccccc1)N(C)/C(CNC=O)=N/[H]
InChIInChI=1S/C13H18N4O/c1-17(13(15)9-16-10-18)12(14)8-7-11-5-3-2-4-6-11/h2-6,10,14-15H,7-9H2,1H3,(H,16,18)/b14-12-,15-13+
InChIKeyDBHYHJKTODMOQM-PMJBJKLVSA-N
MW246.31 g/mol
LogP1.25
Rot. Bonds6

About N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide

N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide (PubChem CID 143410439) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide
PubChem CID143410439
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide
SMILES[H]/N=C(/CCc1ccccc1)N(C)/C(CNC=O)=N/[H]
InChIInChI=1S/C13H18N4O/c1-17(13(15)9-16-10-18)12(14)8-7-11-5-3-2-4-6-11/h2-6,10,14-15H,7-9H2,1H3,(H,16,18)/b14-12-,15-13+
InChIKeyDBHYHJKTODMOQM-PMJBJKLVSA-N
XLogP1.25
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide?
The IUPAC name of N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide (CID 143410439) is N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide.
What is the SMILES notation for N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide?
The canonical SMILES for N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide is [H]/N=C(/CCc1ccccc1)N(C)/C(CNC=O)=N/[H].
What is the InChIKey of N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide?
The InChIKey is DBHYHJKTODMOQM-PMJBJKLVSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(13(15)9-16-10-18)12(14)8-7-11-5-3-2-4-6-11/h2-6,10,14-15H,7-9H2,1H3,(H,16,18)/b14-12-,15-13+.
What are the key properties of N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide?
N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide has a molecular weight of 246.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-imino-2-[methyl(3-phenylpropanimidoyl)amino]ethyl]formamide is sourced from PubChem (CID 143410439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).