N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide

C21H24N2O5 — CID 17222482

IUPACN'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C21H24N2O5/c1-26-17-8-4-15(5-9-17)13-20(24)22-23-21(25)16-6-10-18(11-7-16)28-14-19-3-2-12-27-19/h4-11,19H,2-3,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyVFXMCXJCGOAFSC-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.26
Rot. Bonds7

About N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide

N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide (PubChem CID 17222482) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
PubChem CID17222482
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C21H24N2O5/c1-26-17-8-4-15(5-9-17)13-20(24)22-23-21(25)16-6-10-18(11-7-16)28-14-19-3-2-12-27-19/h4-11,19H,2-3,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyVFXMCXJCGOAFSC-UHFFFAOYSA-N
XLogP2.26
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
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'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 102603532
N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222481
4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 4789040
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
1-[[2-(4-methoxyphenyl)acetyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 40666280
2-hydroxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 43016979
2-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 17222475
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222513
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78814237
3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
CID 2108807
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide (CID 17222482) is N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide is COc1ccc(CC(=O)NNC(=O)c2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide?
The InChIKey is VFXMCXJCGOAFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-17-8-4-15(5-9-17)13-20(24)22-23-21(25)16-6-10-18(11-7-16)28-14-19-3-2-12-27-19/h4-11,19H,2-3,12-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide?
N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide has a molecular weight of 384.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide is sourced from PubChem (CID 17222482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).