N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide

C18H21N3O5 — CID 6379341

IUPACN-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C(/C)CC(=O)NCc2ccco2)c1
InChIInChI=1S/C18H21N3O5/c1-12(7-17(22)19-11-14-5-4-6-26-14)20-21-18(23)13-8-15(24-2)10-16(9-13)25-3/h4-6,8-10H,7,11H2,1-3H3,(H,19,22)(H,21,23)/b20-12-
InChIKeyZOLDGPZPEUTFJJ-NDENLUEZSA-N
MW359.38 g/mol
LogP2.11
Rot. Bonds8

About N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide

N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide (PubChem CID 6379341) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
PubChem CID6379341
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C(/C)CC(=O)NCc2ccco2)c1
InChIInChI=1S/C18H21N3O5/c1-12(7-17(22)19-11-14-5-4-6-26-14)20-21-18(23)13-8-15(24-2)10-16(9-13)25-3/h4-6,8-10H,7,11H2,1-3H3,(H,19,22)(H,21,23)/b20-12-
InChIKeyZOLDGPZPEUTFJJ-NDENLUEZSA-N
XLogP2.11
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 3101336
(3Z)-3-(carbamoylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6371240
(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 6283145
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
CID 110348293
(3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6378047
N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
CID 6376560
N-[(Z)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6381242
N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
CID 6270943
N-[(E)-[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 5342164
N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 3101332
N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 1248224
3-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide
CID 3105446

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide (CID 6379341) is N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N/N=C(/C)CC(=O)NCc2ccco2)c1.
What is the InChIKey of N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide?
The InChIKey is ZOLDGPZPEUTFJJ-NDENLUEZSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-12(7-17(22)19-11-14-5-4-6-26-14)20-21-18(23)13-8-15(24-2)10-16(9-13)25-3/h4-6,8-10H,7,11H2,1-3H3,(H,19,22)(H,21,23)/b20-12-.
What are the key properties of N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide?
N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide has a molecular weight of 359.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 6379341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).