propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate

C18H28N2O2 — CID 7238238

IUPACpropyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate
SMILESCCCCCC/N=C(/NC(=O)c1ccc(C)cc1)OCCC
InChIInChI=1S/C18H28N2O2/c1-4-6-7-8-13-19-18(22-14-5-2)20-17(21)16-11-9-15(3)10-12-16/h9-12H,4-8,13-14H2,1-3H3,(H,19,20,21)
InChIKeyDIKKAPDIWPVLJQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.09
Rot. Bonds8

About propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate

propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate (PubChem CID 7238238) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate.

Molecular Properties

Compound Namepropyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate
PubChem CID7238238
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Namepropyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate
SMILESCCCCCC/N=C(/NC(=O)c1ccc(C)cc1)OCCC
InChIInChI=1S/C18H28N2O2/c1-4-6-7-8-13-19-18(22-14-5-2)20-17(21)16-11-9-15(3)10-12-16/h9-12H,4-8,13-14H2,1-3H3,(H,19,20,21)
InChIKeyDIKKAPDIWPVLJQ-UHFFFAOYSA-N
XLogP4.09
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
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'}

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Related Compounds

ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate
CID 4035465
ethyl N'-[3-(dimethylamino)propyl]-N-(4-methylbenzoyl)carbamimidate
CID 7256758
2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 7416243
ethyl N-(4-fluorobenzoyl)-N'-propylcarbamimidate
CID 3880683
ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 7263415
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 5145915
triacontyl 4-methylbenzoate
CID 151561667
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
2-ethoxyethyl N-(4-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296539
4-hexoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4934576
2-heptoxy-1-(4-methylphenyl)ethanone
CID 43800117
hexane;methyl 4-methylbenzoate
CID 143689226

Frequently Asked Questions

What is the IUPAC name of propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate?
The IUPAC name of propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate (CID 7238238) is propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate.
What is the SMILES notation for propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate?
The canonical SMILES for propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate is CCCCCC/N=C(/NC(=O)c1ccc(C)cc1)OCCC.
What is the InChIKey of propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate?
The InChIKey is DIKKAPDIWPVLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-6-7-8-13-19-18(22-14-5-2)20-17(21)16-11-9-15(3)10-12-16/h9-12H,4-8,13-14H2,1-3H3,(H,19,20,21).
What are the key properties of propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate?
propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate has a molecular weight of 304.43 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate is sourced from PubChem (CID 7238238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).