2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide

C16H25FN4O2 — CID 110973853

IUPAC2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCCOC)NCC(Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C16H25FN4O2/c1-19-16(20-8-3-9-23-2)21-11-13(15(18)22)10-12-4-6-14(17)7-5-12/h4-7,13H,3,8-11H2,1-2H3,(H2,18,22)(H2,19,20,21)
InChIKeyRLZMPXXZRROFOC-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.67
Rot. Bonds9

About 2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide

2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide (PubChem CID 110973853) has the molecular formula C16H25FN4O2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide
PubChem CID110973853
Molecular FormulaC16H25FN4O2
Molecular Weight324.40 g/mol
Exact Mass324.20
IUPAC Name2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCCOC)NCC(Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C16H25FN4O2/c1-19-16(20-8-3-9-23-2)21-11-13(15(18)22)10-12-4-6-14(17)7-5-12/h4-7,13H,3,8-11H2,1-2H3,(H2,18,22)(H2,19,20,21)
InChIKeyRLZMPXXZRROFOC-UHFFFAOYSA-N
XLogP0.67
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide (CID 110973853) is 2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide is C/N=C(\NCCCOC)NCC(Cc1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide?
The InChIKey is RLZMPXXZRROFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O2/c1-19-16(20-8-3-9-23-2)21-11-13(15(18)22)10-12-4-6-14(17)7-5-12/h4-7,13H,3,8-11H2,1-2H3,(H2,18,22)(H2,19,20,21).
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide?
2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide has a molecular weight of 324.40 g/mol, XLogP of 0.67, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]propanamide is sourced from PubChem (CID 110973853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).