N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide

C22H21N3O5 — CID 38858069

IUPACN-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide
SMILESO=C(CCNC(=O)c1ccoc1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H21N3O5/c26-20(10-12-23-22(28)17-11-13-29-14-17)24-25-21(27)15-30-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,11,13-14H,10,12,15H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyKMZZJTUAKDPDGI-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.29
Rot. Bonds8

About N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide

N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide (PubChem CID 38858069) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide
PubChem CID38858069
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC NameN-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide
SMILESO=C(CCNC(=O)c1ccoc1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H21N3O5/c26-20(10-12-23-22(28)17-11-13-29-14-17)24-25-21(27)15-30-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,11,13-14H,10,12,15H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyKMZZJTUAKDPDGI-UHFFFAOYSA-N
XLogP2.29
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]furan-3-carboxamide
CID 55648126
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide
CID 26840576
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
3-ethylsulfanyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 55786556
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
2-[3-(furan-3-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 61243124
3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 7978371
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813
3-(2-methoxyphenyl)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 9470380

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide?
The IUPAC name of N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide (CID 38858069) is N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide is O=C(CCNC(=O)c1ccoc1)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide?
The InChIKey is KMZZJTUAKDPDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c26-20(10-12-23-22(28)17-11-13-29-14-17)24-25-21(27)15-30-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,11,13-14H,10,12,15H2,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide?
N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propyl]furan-3-carboxamide is sourced from PubChem (CID 38858069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).