2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide

C18H22N4O3 — CID 1239861

IUPAC2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide
SMILESC[C@@H](O)CC(C(=O)NNc1ccccc1)C(=O)NNc1ccccc1
InChIInChI=1S/C18H22N4O3/c1-13(23)12-16(17(24)21-19-14-8-4-2-5-9-14)18(25)22-20-15-10-6-3-7-11-15/h2-11,13,16,19-20,23H,12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyJCMQWOCLPITYHB-CYBMUJFWSA-N
MW342.40 g/mol
LogP1.66
Rot. Bonds8

About 2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide

2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide (PubChem CID 1239861) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide.

Molecular Properties

Compound Name2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide
PubChem CID1239861
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide
SMILESC[C@@H](O)CC(C(=O)NNc1ccccc1)C(=O)NNc1ccccc1
InChIInChI=1S/C18H22N4O3/c1-13(23)12-16(17(24)21-19-14-8-4-2-5-9-14)18(25)22-20-15-10-6-3-7-11-15/h2-11,13,16,19-20,23H,12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyJCMQWOCLPITYHB-CYBMUJFWSA-N
XLogP1.66
TPSA102.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide
CID 131873051
1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide
CID 5088249
4-[(2S)-4-methyl-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]iminopentanoic acid
CID 11278618
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
(2S)-2-amino-N',3-diphenylpropanehydrazide
CID 11379833
2-anilino-N-(4-hydroxypentan-2-yl)acetamide
CID 113376266
propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate
CID 4661286
(2R,4S,5R,6R)-2,4,5,6,7-pentahydroxy-3-oxo-N'-phenylheptanehydrazide
CID 98572843
(2R,4R,5R,6R)-2,4,5,6,7-pentahydroxy-3-oxo-N'-phenylheptanehydrazide
CID 92532681
1-anilino-3-ethylurea
CID 67472651
4-chloro-2-methyl-3-oxo-N-phenylbutanamide
CID 21287643
N-anilinocarbamoyl chloride
CID 57449233

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide?
The IUPAC name of 2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide (CID 1239861) is 2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide.
What is the SMILES notation for 2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide?
The canonical SMILES for 2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide is C[C@@H](O)CC(C(=O)NNc1ccccc1)C(=O)NNc1ccccc1.
What is the InChIKey of 2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide?
The InChIKey is JCMQWOCLPITYHB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(23)12-16(17(24)21-19-14-8-4-2-5-9-14)18(25)22-20-15-10-6-3-7-11-15/h2-11,13,16,19-20,23H,12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide?
2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide has a molecular weight of 342.40 g/mol, XLogP of 1.66, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide is sourced from PubChem (CID 1239861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).