N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide

C19H17N3O3 — CID 6874198

IUPACN'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide
SMILESO=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/c1ccco1
InChIInChI=1S/C19H17N3O3/c23-18(10-11-19(24)22-20-13-15-7-4-12-25-15)21-17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12-13H,10-11H2,(H,21,23)(H,22,24)/b20-13+
InChIKeyDCPJEKMXSQIGDR-DEDYPNTBSA-N
MW335.36 g/mol
LogP3.30
Rot. Bonds6

About N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide

N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide (PubChem CID 6874198) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide.

Molecular Properties

Compound NameN'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide
PubChem CID6874198
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide
SMILESO=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/c1ccco1
InChIInChI=1S/C19H17N3O3/c23-18(10-11-19(24)22-20-13-15-7-4-12-25-15)21-17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12-13H,10-11H2,(H,21,23)(H,22,24)/b20-13+
InChIKeyDCPJEKMXSQIGDR-DEDYPNTBSA-N
XLogP3.30
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-chloro-2-methylphenyl)-4-[2-(2-furylmethylene)hydrazino]-4-oxobutanamide
CID 6876572
N-(2,3-Dimethyl-phenyl)-2-(3-furan-2-yl-6-oxo-6H-pyridazin-1-yl)-acetamide
CID 6485768
4-[2-(2-furylmethylene)hydrazino]-4-oxo-N-phenylbutanamide
CID 6871030
2-Chloro-N-(3-{N'-[(E)-(furan-2-YL)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496207
2-Methyl-N-(3-{N'-[(E)-(5-methylfuran-2-YL)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496243
N'-[(1E,2E)-3-(2-furyl)-1-methylprop-2-enylidene]-2-(2-naphthylamino)acetohydrazide
CID 9595989
4-(2-(2-Furylmethylene)hydrazino)-N-(3-methylphenyl)-4-oxobutanamide
CID 9643503
N-[(E)-furan-2-ylmethylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 5331394
N-(2-{[2-(2-furylmethylene)hydrazino]carbonyl}phenyl)-2-methylbenzamide
CID 5456365
2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 6884367
N-(2-{[2-(2-furylmethylene)hydrazino]carbonyl}phenyl)-4-methoxybenzamide
CID 9564917
4-fluoro-N-(2-{[2-(2-furylmethylene)hydrazino]carbonyl}phenyl)benzamide
CID 9564922

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide?
The IUPAC name of N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide (CID 6874198) is N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide.
What is the SMILES notation for N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide?
The canonical SMILES for N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide is O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/c1ccco1.
What is the InChIKey of N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide?
The InChIKey is DCPJEKMXSQIGDR-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(10-11-19(24)22-20-13-15-7-4-12-25-15)21-17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12-13H,10-11H2,(H,21,23)(H,22,24)/b20-13+.
What are the key properties of N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide?
N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide has a molecular weight of 335.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide is sourced from PubChem (CID 6874198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).