2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate

C15H24N2O3 — CID 7297610

IUPAC2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate
SMILESCC(C)CC/N=C(/NC(=O)c1ccco1)OCC(C)C
InChIInChI=1S/C15H24N2O3/c1-11(2)7-8-16-15(20-10-12(3)4)17-14(18)13-6-5-9-19-13/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,16,17,18)
InChIKeyJBLYDVSLZAZGNE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.08
Rot. Bonds6

About 2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate

2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate (PubChem CID 7297610) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate.

Molecular Properties

Compound Name2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate
PubChem CID7297610
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate
SMILESCC(C)CC/N=C(/NC(=O)c1ccco1)OCC(C)C
InChIInChI=1S/C15H24N2O3/c1-11(2)7-8-16-15(20-10-12(3)4)17-14(18)13-6-5-9-19-13/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,16,17,18)
InChIKeyJBLYDVSLZAZGNE-UHFFFAOYSA-N
XLogP3.08
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate
CID 7347954
ethyl N'-[(2S)-butan-2-yl]-N-(furan-2-carbonyl)carbamimidate
CID 7439494
2-methylpropyl N-(4-fluorobenzoyl)-N'-(3-methylbutyl)carbamimidate
CID 42665461
propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate
CID 4235851
2-methylpropyl 4-(furan-2-carbonylcarbamothioylamino)benzoate
CID 19187791
N-[2-[[N-ethyl-N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110978304
2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate
CID 7338343
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
CID 43798717
2-methylpropyl N'-[3-(dimethylamino)propyl]-N-(2-methylbenzoyl)carbamimidate
CID 7218787
N-[2-[[N-ethyl-N'-(4-methylpentyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111943215
N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 110781155

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate?
The IUPAC name of 2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate (CID 7297610) is 2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate.
What is the SMILES notation for 2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate?
The canonical SMILES for 2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate is CC(C)CC/N=C(/NC(=O)c1ccco1)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate?
The InChIKey is JBLYDVSLZAZGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)7-8-16-15(20-10-12(3)4)17-14(18)13-6-5-9-19-13/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,16,17,18).
What are the key properties of 2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate?
2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate has a molecular weight of 280.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate is sourced from PubChem (CID 7297610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).