4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C16H17N3O4 — CID 7985051

IUPAC4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(C)o2)cc1
InChIInChI=1S/C16H17N3O4/c1-11-3-6-14(23-11)9-18-19-15(20)10-17-16(21)12-4-7-13(22-2)8-5-12/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-9+
InChIKeyOBDJENHGWLYUGY-GIJQJNRQSA-N
MW315.33 g/mol
LogP1.48
Rot. Bonds6

About 4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 7985051) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID7985051
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(C)o2)cc1
InChIInChI=1S/C16H17N3O4/c1-11-3-6-14(23-11)9-18-19-15(20)10-17-16(21)12-4-7-13(22-2)8-5-12/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-9+
InChIKeyOBDJENHGWLYUGY-GIJQJNRQSA-N
XLogP1.48
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(Z)-[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6048625
N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 43948612
4-methoxy-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
CID 7976856
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 5202997
N-[2-[(2E)-2-[(2-bromo-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 51061390
N-[2-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 5178952
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-methyl-N-[2-[2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3859238
N-[2-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 7976843
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 21208726
1-[(4-methoxyphenyl)methyl]-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiourea
CID 9176344

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 7985051) is 4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(C)o2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is OBDJENHGWLYUGY-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11-3-6-14(23-11)9-18-19-15(20)10-17-16(21)12-4-7-13(22-2)8-5-12/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-9+.
What are the key properties of 4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 315.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 7985051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).