N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide

C18H22N2O2 — CID 75202374

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C18H22N2O2/c1-13(2)11-15-6-8-16(9-7-15)14(3)18(21)20-19-12-17-5-4-10-22-17/h4-10,12-14H,11H2,1-3H3,(H,20,21)/b19-12+
InChIKeyLQPHACKXDAFATN-XDHOZWIPSA-N
MW298.39 g/mol
LogP3.73
Rot. Bonds6

About N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 75202374) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID75202374
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C18H22N2O2/c1-13(2)11-15-6-8-16(9-7-15)14(3)18(21)20-19-12-17-5-4-10-22-17/h4-10,12-14H,11H2,1-3H3,(H,20,21)/b19-12+
InChIKeyLQPHACKXDAFATN-XDHOZWIPSA-N
XLogP3.73
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135764403
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135400268
(2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 793131
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide
CID 7936596
(2S)-N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135958667
2-(4-ethylphenyl)-N-(furan-2-ylmethylideneamino)acetamide
CID 165354335
tert-butyl N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 56933869
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 136742632
(2R)-2-[4-(difluoromethoxy)phenyl]-N-[(Z)-furan-2-ylmethylideneamino]-3-methylbutanamide
CID 5396307

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 75202374) is N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)N/N=C/c2ccco2)cc1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is LQPHACKXDAFATN-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)11-15-6-8-16(9-7-15)14(3)18(21)20-19-12-17-5-4-10-22-17/h4-10,12-14H,11H2,1-3H3,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 75202374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).