N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide

C17H19N3O3 — CID 6231536

IUPACN-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)N/N=C\c2ccoc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(2)9-16(21)19-15-5-3-14(4-6-15)17(22)20-18-10-13-7-8-23-11-13/h3-8,10-12H,9H2,1-2H3,(H,19,21)(H,20,22)/b18-10-
InChIKeyFRRUZXLCOVBKMQ-ZDLGFXPLSA-N
MW313.36 g/mol
LogP3.03
Rot. Bonds6

About N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide

N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide (PubChem CID 6231536) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide
PubChem CID6231536
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)N/N=C\c2ccoc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(2)9-16(21)19-15-5-3-14(4-6-15)17(22)20-18-10-13-7-8-23-11-13/h3-8,10-12H,9H2,1-2H3,(H,19,21)(H,20,22)/b18-10-
InChIKeyFRRUZXLCOVBKMQ-ZDLGFXPLSA-N
XLogP3.03
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.03
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

4-(3-methylbutanoylamino)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924445
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide
CID 135685561
N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide
CID 26871453
4-(3-methylbutanoylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 17234592
4-(3-methylbutanoylamino)-N-(2-phenylethylideneamino)benzamide
CID 4922545
N-(furan-3-ylmethylideneamino)-3-methylbenzamide
CID 4923070
N-[(Z)-furan-3-ylmethylideneamino]-3-methylbenzamide
CID 6231503
N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-4-(3-methylbutanoylamino)benzamide
CID 6117901
N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 570652
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] furan-3-carboxylate
CID 46648836
4-(3-methylbutanoylamino)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6117811
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide (CID 6231536) is N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide is CC(C)CC(=O)Nc1ccc(C(=O)N/N=C\c2ccoc2)cc1.
What is the InChIKey of N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide?
The InChIKey is FRRUZXLCOVBKMQ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(2)9-16(21)19-15-5-3-14(4-6-15)17(22)20-18-10-13-7-8-23-11-13/h3-8,10-12H,9H2,1-2H3,(H,19,21)(H,20,22)/b18-10-.
What are the key properties of N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide?
N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide has a molecular weight of 313.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 6231536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).