N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide

C20H32N4O — CID 111947217

IUPACN-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCCC1CCCC1)NCCC(=O)NCc1ccccc1
InChIInChI=1S/C20H32N4O/c1-21-20(22-14-7-12-17-8-5-6-9-17)23-15-13-19(25)24-16-18-10-3-2-4-11-18/h2-4,10-11,17H,5-9,12-16H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeySFFXGSYGFOAKQS-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.83
Rot. Bonds9

About N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide

N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide (PubChem CID 111947217) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide
PubChem CID111947217
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCCC1CCCC1)NCCC(=O)NCc1ccccc1
InChIInChI=1S/C20H32N4O/c1-21-20(22-14-7-12-17-8-5-6-9-17)23-15-13-19(25)24-16-18-10-3-2-4-11-18/h2-4,10-11,17H,5-9,12-16H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeySFFXGSYGFOAKQS-UHFFFAOYSA-N
XLogP2.83
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-[(N-butyl-N'-methylcarbamimidoyl)amino]propanamide
CID 111152016
N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111225373
N-benzyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109472981
4-[[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111947687
N-benzyl-3-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]propanamide
CID 110965696
N-benzyl-3-[[N'-methyl-N-(4-methylsulfanylbutyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111626391
4-[[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111947686
N-benzyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide
CID 110981329
N-benzyl-3-[[N'-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]propanamide
CID 111320034
1-[(4-cyanophenyl)methyl]-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide
CID 111946674
3-[(N-benzyl-N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110954723
4-[[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111608883

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide?
The IUPAC name of N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide (CID 111947217) is N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide.
What is the SMILES notation for N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide?
The canonical SMILES for N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide is C/N=C(\NCCCC1CCCC1)NCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide?
The InChIKey is SFFXGSYGFOAKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-21-20(22-14-7-12-17-8-5-6-9-17)23-15-13-19(25)24-16-18-10-3-2-4-11-18/h2-4,10-11,17H,5-9,12-16H2,1H3,(H,24,25)(H2,21,22,23).
What are the key properties of N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide?
N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide has a molecular weight of 344.50 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]propanamide is sourced from PubChem (CID 111947217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).