1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide

C18H20N4O2 — CID 5088249

IUPAC1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide
SMILESC=CCC(C(=O)NNc1ccccc1)C(=O)NNc1ccccc1
InChIInChI=1S/C18H20N4O2/c1-2-9-16(17(23)21-19-14-10-5-3-6-11-14)18(24)22-20-15-12-7-4-8-13-15/h2-8,10-13,16,19-20H,1,9H2,(H,21,23)(H,22,24)
InChIKeyHYYHDCDVFFRXMM-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.47
Rot. Bonds8

About 1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide

1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide (PubChem CID 5088249) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide.

Molecular Properties

Compound Name1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide
PubChem CID5088249
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide
SMILESC=CCC(C(=O)NNc1ccccc1)C(=O)NNc1ccccc1
InChIInChI=1S/C18H20N4O2/c1-2-9-16(17(23)21-19-14-10-5-3-6-11-14)18(24)22-20-15-12-7-4-8-13-15/h2-8,10-13,16,19-20H,1,9H2,(H,21,23)(H,22,24)
InChIKeyHYYHDCDVFFRXMM-UHFFFAOYSA-N
XLogP2.47
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide
CID 1239861
N'-phenylprop-2-enehydrazide
CID 21179187
1-N',8-N'-diphenyloctanedihydrazide
CID 14872757
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
methyl (2S)-2-(phenylmethoxycarbamoyl)pent-4-enoate
CID 91321403
(2S)-2-amino-N',3-diphenylpropanehydrazide
CID 11379833
(2R)-2-phenylmethoxycarbonylpent-4-enoic acid
CID 66844802
N-acetyl-2-benzoylpent-4-enamide
CID 177487676
N-anilinocarbamoyl chloride
CID 57449233
3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride
CID 174791706
2-fluoro-N'-phenylacetohydrazide
CID 16862
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide
CID 131873051

Frequently Asked Questions

What is the IUPAC name of 1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide?
The IUPAC name of 1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide (CID 5088249) is 1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide.
What is the SMILES notation for 1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide?
The canonical SMILES for 1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide is C=CCC(C(=O)NNc1ccccc1)C(=O)NNc1ccccc1.
What is the InChIKey of 1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide?
The InChIKey is HYYHDCDVFFRXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-9-16(17(23)21-19-14-10-5-3-6-11-14)18(24)22-20-15-12-7-4-8-13-15/h2-8,10-13,16,19-20H,1,9H2,(H,21,23)(H,22,24).
What are the key properties of 1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide?
1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide has a molecular weight of 324.38 g/mol, XLogP of 2.47, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide is sourced from PubChem (CID 5088249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).