3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide

C15H24N4O — CID 111068269

IUPAC3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN/C(=N/Cc1ccccc1)N(C)C
InChIInChI=1S/C15H24N4O/c1-18(2)14(20)10-11-16-15(19(3)4)17-12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,16,17)
InChIKeyXFPBSQCNSNHQME-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.17
Rot. Bonds5

About 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide

3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide (PubChem CID 111068269) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide
PubChem CID111068269
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN/C(=N/Cc1ccccc1)N(C)C
InChIInChI=1S/C15H24N4O/c1-18(2)14(20)10-11-16-15(19(3)4)17-12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,16,17)
InChIKeyXFPBSQCNSNHQME-UHFFFAOYSA-N
XLogP1.17
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.17
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

methyl 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111063956
2-benzyl-1,1-dimethyl-3-(2-phenylethyl)guanidine
CID 111022931
propan-2-yl 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]propanoate
CID 111037142
2-benzyl-1,1-dimethyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111031866
ethyl 4-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]butanoate;hydroiodide
CID 111025673
2-benzyl-1,1-dimethyl-3-pent-3-enylguanidine
CID 111587965
N-[2-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]ethyl]-2-chlorobenzamide
CID 111043356
3-[2-(4-acetylpiperazin-1-yl)ethyl]-2-benzyl-1,1-dimethylguanidine
CID 75364745
2-benzyl-1,1-dimethyl-3-(3-methylsulfanylpropyl)guanidine
CID 111492828
2-benzyl-1,1-dimethyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111036891
3-[3-(benzenesulfonyl)propyl]-2-benzyl-1,1-dimethylguanidine
CID 111085375
2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine
CID 111600570

Frequently Asked Questions

What is the IUPAC name of 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide (CID 111068269) is 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCN/C(=N/Cc1ccccc1)N(C)C.
What is the InChIKey of 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide?
The InChIKey is XFPBSQCNSNHQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18(2)14(20)10-11-16-15(19(3)4)17-12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,16,17).
What are the key properties of 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide?
3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 111068269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).