N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide

C22H27N3O4 — CID 9410359

IUPACN'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide
SMILESC[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1
InChIInChI=1S/C22H27N3O4/c1-16-14-25(15-17(2)28-16)13-12-21(26)23-24-22(27)18-8-10-20(11-9-18)29-19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,23,26)(H,24,27)/t16-,17-/m1/s1
InChIKeyDDIRCTRJICNPOQ-IAGOWNOFSA-N
MW397.48 g/mol
LogP2.74
Rot. Bonds6

About N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide

N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide (PubChem CID 9410359) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide
PubChem CID9410359
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide
SMILESC[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1
InChIInChI=1S/C22H27N3O4/c1-16-14-25(15-17(2)28-16)13-12-21(26)23-24-22(27)18-8-10-20(11-9-18)29-19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,23,26)(H,24,27)/t16-,17-/m1/s1
InChIKeyDDIRCTRJICNPOQ-IAGOWNOFSA-N
XLogP2.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.74
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'-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]benzohydrazide
CID 8898901
4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 46682622
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
N'-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-3-methylbenzo[g][1]benzofuran-2-carbohydrazide
CID 9089506
4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
CID 21231530
N-(4-acetylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 24588538
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide
CID 9372733
N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580341
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
N-cyclopropyl-3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanamide
CID 94823090

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide?
The IUPAC name of N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide (CID 9410359) is N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide.
What is the SMILES notation for N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide?
The canonical SMILES for N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide is C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1.
What is the InChIKey of N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide?
The InChIKey is DDIRCTRJICNPOQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16-14-25(15-17(2)28-16)13-12-21(26)23-24-22(27)18-8-10-20(11-9-18)29-19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,23,26)(H,24,27)/t16-,17-/m1/s1.
What are the key properties of N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide?
N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide has a molecular weight of 397.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide is sourced from PubChem (CID 9410359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).