N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C26H28N2O6 — CID 26717739

IUPACN'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1OCC
InChIInChI=1S/C26H28N2O6/c1-3-16-32-22-13-10-19(17-24(22)31-4-2)11-15-25(29)27-28-26(30)23-14-12-21(34-23)18-33-20-8-6-5-7-9-20/h5-15,17H,3-4,16,18H2,1-2H3,(H,27,29)(H,28,30)/b15-11+
InChIKeyMTPAKZMXOJRLCB-RVDMUPIBSA-N
MW464.52 g/mol
LogP4.52
Rot. Bonds11

About N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 26717739) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID26717739
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC NameN'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1OCC
InChIInChI=1S/C26H28N2O6/c1-3-16-32-22-13-10-19(17-24(22)31-4-2)11-15-25(29)27-28-26(30)23-14-12-21(34-23)18-33-20-8-6-5-7-9-20/h5-15,17H,3-4,16,18H2,1-2H3,(H,27,29)(H,28,30)/b15-11+
InChIKeyMTPAKZMXOJRLCB-RVDMUPIBSA-N
XLogP4.52
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219849
N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9187429
N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 33317052
5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
CID 55788976
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46447003
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 134016624
4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide
CID 46541731
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 102603120
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26746199
3-[3-ethoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22687619

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 26717739) is N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is CCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1OCC.
What is the InChIKey of N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is MTPAKZMXOJRLCB-RVDMUPIBSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-3-16-32-22-13-10-19(17-24(22)31-4-2)11-15-25(29)27-28-26(30)23-14-12-21(34-23)18-33-20-8-6-5-7-9-20/h5-15,17H,3-4,16,18H2,1-2H3,(H,27,29)(H,28,30)/b15-11+.
What are the key properties of N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 464.52 g/mol, XLogP of 4.52, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 26717739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).