N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide

C16H16N2O3 — CID 40989624

IUPACN-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N/N=C\C=C\c2ccco2)ccc1C
InChIInChI=1S/C16H16N2O3/c1-12-7-8-13(11-15(12)20-2)16(19)18-17-9-3-5-14-6-4-10-21-14/h3-11H,1-2H3,(H,18,19)/b5-3+,17-9-
InChIKeyWKVIWQDHUFARFO-LDRJOUGUSA-N
MW284.31 g/mol
LogP3.03
Rot. Bonds5

About N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide

N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide (PubChem CID 40989624) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide
PubChem CID40989624
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N/N=C\C=C\c2ccco2)ccc1C
InChIInChI=1S/C16H16N2O3/c1-12-7-8-13(11-15(12)20-2)16(19)18-17-9-3-5-14-6-4-10-21-14/h3-11H,1-2H3,(H,18,19)/b5-3+,17-9-
InChIKeyWKVIWQDHUFARFO-LDRJOUGUSA-N
XLogP3.03
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
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

2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
CID 4027245
N-[3-(furan-2-yl)prop-2-enylideneamino]pyridine-4-carboxamide
CID 2853290
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
CID 6893827
N-(cinnamylideneamino)-3,4-dimethoxybenzamide
CID 6824789
N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 6842495
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6883391
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 5430494
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
CID 5369634
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
CID 11958888
4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide
CID 6899373
N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-naphthalen-2-yloxyacetamide
CID 129441481

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide (CID 40989624) is N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)N/N=C\C=C\c2ccco2)ccc1C.
What is the InChIKey of N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide?
The InChIKey is WKVIWQDHUFARFO-LDRJOUGUSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12-7-8-13(11-15(12)20-2)16(19)18-17-9-3-5-14-6-4-10-21-14/h3-11H,1-2H3,(H,18,19)/b5-3+,17-9-.
What are the key properties of N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide?
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide has a molecular weight of 284.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 40989624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).