N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide

C16H18N2O2 — CID 171979033

IUPACN-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide
SMILESCc1ccc(/C=N/NC(=O)CCCc2ccccc2)o1
InChIInChI=1S/C16H18N2O2/c1-13-10-11-15(20-13)12-17-18-16(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,18,19)/b17-12+
InChIKeyGQAQHJACGXKUMY-SFQUDFHCSA-N
MW270.33 g/mol
LogP3.06
Rot. Bonds6

About N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide (PubChem CID 171979033) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide
PubChem CID171979033
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide
SMILESCc1ccc(/C=N/NC(=O)CCCc2ccccc2)o1
InChIInChI=1S/C16H18N2O2/c1-13-10-11-15(20-13)12-17-18-16(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,18,19)/b17-12+
InChIKeyGQAQHJACGXKUMY-SFQUDFHCSA-N
XLogP3.06
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.06
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

N-[(5-methylfuran-2-yl)methylideneamino]decanamide
CID 4150457
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
CID 913455
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5413519
N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 5202997
N-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
2-(2,4-dimethylphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 92657653
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991463
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5333773

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide?
The IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide (CID 171979033) is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide.
What is the SMILES notation for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide?
The canonical SMILES for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide is Cc1ccc(/C=N/NC(=O)CCCc2ccccc2)o1.
What is the InChIKey of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide?
The InChIKey is GQAQHJACGXKUMY-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-13-10-11-15(20-13)12-17-18-16(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,18,19)/b17-12+.
What are the key properties of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide?
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide has a molecular weight of 270.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide is sourced from PubChem (CID 171979033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).