2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide

C17H20N2O2 — CID 6371445

IUPAC2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide
SMILESCC/C(Cc1ccccc1)=N/NC(=O)c1cc(C)oc1C
InChIInChI=1S/C17H20N2O2/c1-4-15(11-14-8-6-5-7-9-14)18-19-17(20)16-10-12(2)21-13(16)3/h5-10H,4,11H2,1-3H3,(H,19,20)/b18-15-
InChIKeyGZAAJXBVPLXJGS-SDXDJHTJSA-N
MW284.36 g/mol
LogP3.63
Rot. Bonds5

About 2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide

2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide (PubChem CID 6371445) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide
PubChem CID6371445
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide
SMILESCC/C(Cc1ccccc1)=N/NC(=O)c1cc(C)oc1C
InChIInChI=1S/C17H20N2O2/c1-4-15(11-14-8-6-5-7-9-14)18-19-17(20)16-10-12(2)21-13(16)3/h5-10H,4,11H2,1-3H3,(H,19,20)/b18-15-
InChIKeyGZAAJXBVPLXJGS-SDXDJHTJSA-N
XLogP3.63
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.63
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

2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
CID 6074409
N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide
CID 5149450
N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
CID 8518796
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853
2-chloro-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]benzamide
CID 6156048
N-(1,3-diphenylpropan-2-ylideneamino)benzamide
CID 5109505
2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide
CID 6175255
N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 4308006
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide
CID 4274264

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide (CID 6371445) is 2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide is CC/C(Cc1ccccc1)=N/NC(=O)c1cc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide?
The InChIKey is GZAAJXBVPLXJGS-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-15(11-14-8-6-5-7-9-14)18-19-17(20)16-10-12(2)21-13(16)3/h5-10H,4,11H2,1-3H3,(H,19,20)/b18-15-.
What are the key properties of 2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide?
2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide is sourced from PubChem (CID 6371445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).