2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate

C16H23FN2O3 — CID 7360519

IUPAC2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate
SMILESCOCCC/N=C(/NC(=O)c1ccc(F)cc1)OCC(C)C
InChIInChI=1S/C16H23FN2O3/c1-12(2)11-22-16(18-9-4-10-21-3)19-15(20)13-5-7-14(17)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,18,19,20)
InChIKeyZOMGXISJHYJXNS-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.62
Rot. Bonds7

About 2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate

2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate (PubChem CID 7360519) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate.

Molecular Properties

Compound Name2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate
PubChem CID7360519
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate
SMILESCOCCC/N=C(/NC(=O)c1ccc(F)cc1)OCC(C)C
InChIInChI=1S/C16H23FN2O3/c1-12(2)11-22-16(18-9-4-10-21-3)19-15(20)13-5-7-14(17)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,18,19,20)
InChIKeyZOMGXISJHYJXNS-UHFFFAOYSA-N
XLogP2.62
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate 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

2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methylbutyl)carbamimidate
CID 42665461
ethyl N-(4-fluorobenzoyl)-N'-propylcarbamimidate
CID 3880683
propan-2-yl N-(4-fluorobenzoyl)-N'-(2-pyrrolidin-1-ylethyl)carbamimidate
CID 4647403
ethyl N-(4-fluorobenzoyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate
CID 7412384
ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate
CID 4035465
1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one
CID 54936830
propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate
CID 7238238
2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 46125593
3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
CID 7271327

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate?
The IUPAC name of 2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate (CID 7360519) is 2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate.
What is the SMILES notation for 2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate?
The canonical SMILES for 2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate is COCCC/N=C(/NC(=O)c1ccc(F)cc1)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate?
The InChIKey is ZOMGXISJHYJXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-12(2)11-22-16(18-9-4-10-21-3)19-15(20)13-5-7-14(17)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate?
2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate has a molecular weight of 310.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methoxypropyl)carbamimidate is sourced from PubChem (CID 7360519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).