2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide

C20H19N3O3 — CID 5343180

IUPAC2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide
SMILESC/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)c1ccoc1C
InChIInChI=1S/C20H19N3O3/c1-13(22-23-20(25)16-10-11-26-14(16)2)12-19(24)21-18-9-5-7-15-6-3-4-8-17(15)18/h3-11H,12H2,1-2H3,(H,21,24)(H,23,25)/b22-13+
InChIKeyQPLZZKJRZRWFST-LPYMAVHISA-N
MW349.39 g/mol
LogP3.88
Rot. Bonds5

About 2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide

2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide (PubChem CID 5343180) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide
PubChem CID5343180
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide
SMILESC/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)c1ccoc1C
InChIInChI=1S/C20H19N3O3/c1-13(22-23-20(25)16-10-11-26-14(16)2)12-19(24)21-18-9-5-7-15-6-3-4-8-17(15)18/h3-11H,12H2,1-2H3,(H,21,24)(H,23,25)/b22-13+
InChIKeyQPLZZKJRZRWFST-LPYMAVHISA-N
XLogP3.88
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.88
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-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 171979194
2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 5402054
N-[(E)-[4-(2-chloroanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 17385865
N-[(E)-[4-(2-chloroanilino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 5344897
N'-[(E)-[4-(3,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-N-naphthalen-1-yloxamide
CID 98157842
N-(butan-2-ylideneamino)naphthalene-1-carboxamide
CID 4560020
N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide
CID 6321959
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide
CID 135576103
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9359476
2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide
CID 6517419
N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide
CID 4609647

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide (CID 5343180) is 2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide is C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)c1ccoc1C.
What is the InChIKey of 2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide?
The InChIKey is QPLZZKJRZRWFST-LPYMAVHISA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13(22-23-20(25)16-10-11-26-14(16)2)12-19(24)21-18-9-5-7-15-6-3-4-8-17(15)18/h3-11H,12H2,1-2H3,(H,21,24)(H,23,25)/b22-13+.
What are the key properties of 2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide?
2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide is sourced from PubChem (CID 5343180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).