2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate

C20H26N2O5 — CID 7347954

IUPAC2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate
SMILESCOc1ccc(CC/N=C(/NC(=O)c2ccco2)OCC(C)C)cc1OC
InChIInChI=1S/C20H26N2O5/c1-14(2)13-27-20(22-19(23)17-6-5-11-26-17)21-10-9-15-7-8-16(24-3)18(12-15)25-4/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,21,22,23)
InChIKeyFMISLHSBEBRQPO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.30
Rot. Bonds8

About 2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate

2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate (PubChem CID 7347954) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate.

Molecular Properties

Compound Name2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate
PubChem CID7347954
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate
SMILESCOc1ccc(CC/N=C(/NC(=O)c2ccco2)OCC(C)C)cc1OC
InChIInChI=1S/C20H26N2O5/c1-14(2)13-27-20(22-19(23)17-6-5-11-26-17)21-10-9-15-7-8-16(24-3)18(12-15)25-4/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,21,22,23)
InChIKeyFMISLHSBEBRQPO-UHFFFAOYSA-N
XLogP3.30
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate
CID 7297610
N-[2-[[N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111214314
2-methoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-methylbenzoyl)carbamimidate
CID 3973914
N-[4-[[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111040354
ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate
CID 7419564
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
CID 32521036
[4-[(3R)-3-(furan-2-carbonylamino)butyl]-2-methoxyphenyl] furan-2-carboxylate
CID 6976374
[4-[3-(furan-2-carbonylamino)butyl]-2-methoxyphenyl] furan-2-carboxylate
CID 2818039
2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate
CID 7264739
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038
propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate
CID 4235851
1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea
CID 129259360

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate?
The IUPAC name of 2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate (CID 7347954) is 2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate.
What is the SMILES notation for 2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate?
The canonical SMILES for 2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate is COc1ccc(CC/N=C(/NC(=O)c2ccco2)OCC(C)C)cc1OC.
What is the InChIKey of 2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate?
The InChIKey is FMISLHSBEBRQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-14(2)13-27-20(22-19(23)17-6-5-11-26-17)21-10-9-15-7-8-16(24-3)18(12-15)25-4/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,21,22,23).
What are the key properties of 2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate?
2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate has a molecular weight of 374.44 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate is sourced from PubChem (CID 7347954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).