N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide

C15H24N4O — CID 111225373

IUPACN-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
SMILESCCCN/C(=N\C)NCCC(=O)NCc1ccccc1
InChIInChI=1S/C15H24N4O/c1-3-10-17-15(16-2)18-11-9-14(20)19-12-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,19,20)(H2,16,17,18)
InChIKeyIVPVIGCPHUVDCH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.27
Rot. Bonds7

About N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide

N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide (PubChem CID 111225373) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
PubChem CID111225373
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
SMILESCCCN/C(=N\C)NCCC(=O)NCc1ccccc1
InChIInChI=1S/C15H24N4O/c1-3-10-17-15(16-2)18-11-9-14(20)19-12-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,19,20)(H2,16,17,18)
InChIKeyIVPVIGCPHUVDCH-UHFFFAOYSA-N
XLogP1.27
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
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

N-benzyl-3-[(N-butyl-N'-methylcarbamimidoyl)amino]propanamide
CID 111152016
N-benzyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109472981
N-benzyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide
CID 110981329
N-benzyl-3-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]propanamide
CID 110965696
N-benzyl-3-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111228799
N-benzyl-3-[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111175520
N-benzyl-3-[[N'-methyl-N-(4-methylsulfanylbutyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111626391
3-[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111636633
3-[(N-benzyl-N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110954723
N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 111947217
N'-benzyl-N-propylpropanediamide
CID 108940601
N-benzyl-3-[[N-[(2,5-difluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111903437

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide?
The IUPAC name of N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide (CID 111225373) is N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide is CCCN/C(=N\C)NCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide?
The InChIKey is IVPVIGCPHUVDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-10-17-15(16-2)18-11-9-14(20)19-12-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,19,20)(H2,16,17,18).
What are the key properties of N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide?
N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 111225373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).