N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide

C16H17N3O3 — CID 4924959

IUPACN-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NN=Cc2ccco2)cc1
InChIInChI=1S/C16H17N3O3/c1-11(2)15(20)18-13-7-5-12(6-8-13)16(21)19-17-10-14-4-3-9-22-14/h3-11H,1-2H3,(H,18,20)(H,19,21)
InChIKeyJXCIDGDLBWPLJS-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.64
Rot. Bonds5

About N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide

N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide (PubChem CID 4924959) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
PubChem CID4924959
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NN=Cc2ccco2)cc1
InChIInChI=1S/C16H17N3O3/c1-11(2)15(20)18-13-7-5-12(6-8-13)16(21)19-17-10-14-4-3-9-22-14/h3-11H,1-2H3,(H,18,20)(H,19,21)
InChIKeyJXCIDGDLBWPLJS-UHFFFAOYSA-N
XLogP2.64
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.64
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)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
CID 690188
N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924958
4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6875716
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 137095702
N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 71207836
N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide
CID 4927464
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide (CID 4924959) is N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(C(=O)NN=Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide?
The InChIKey is JXCIDGDLBWPLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(2)15(20)18-13-7-5-12(6-8-13)16(21)19-17-10-14-4-3-9-22-14/h3-11H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide?
N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide has a molecular weight of 299.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 4924959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).