N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide

C15H16N2O2 — CID 134884255

IUPACN-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide
SMILESCC(C)/C(=N\NC(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H16N2O2/c1-11(2)14(13-9-6-10-19-13)16-17-15(18)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,17,18)/b16-14+
InChIKeyPTWUMMKPQMUDEH-JQIJEIRASA-N
MW256.31 g/mol
LogP3.07
Rot. Bonds4

About N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide

N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide (PubChem CID 134884255) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide
PubChem CID134884255
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide
SMILESCC(C)/C(=N\NC(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H16N2O2/c1-11(2)14(13-9-6-10-19-13)16-17-15(18)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,17,18)/b16-14+
InChIKeyPTWUMMKPQMUDEH-JQIJEIRASA-N
XLogP3.07
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.07
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-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 5417702
4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 3512909
benzyl N'-benzamido-N-(furan-2-carbonyl)carbamimidothioate
CID 137310004
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
CID 4982210
N-(1-phenylpentylideneamino)furan-2-carboxamide
CID 4993294
N-(1,3-diphenylpropan-2-ylideneamino)benzamide
CID 5109505
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide?
The IUPAC name of N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide (CID 134884255) is N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide.
What is the SMILES notation for N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide?
The canonical SMILES for N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide is CC(C)/C(=N\NC(=O)c1ccccc1)c1ccco1.
What is the InChIKey of N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide?
The InChIKey is PTWUMMKPQMUDEH-JQIJEIRASA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(2)14(13-9-6-10-19-13)16-17-15(18)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,17,18)/b16-14+.
What are the key properties of N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide?
N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide has a molecular weight of 256.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide is sourced from PubChem (CID 134884255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).