N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide

C20H22N2O2 — CID 135076144

IUPACN'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide
SMILESC=CCN(NC(/C=C/c1ccccc1)CO)C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-15-22(20(24)18-11-7-4-8-12-18)21-19(16-23)14-13-17-9-5-3-6-10-17/h2-14,19,21,23H,1,15-16H2/b14-13+
InChIKeyKSTHKYHRORDPMU-BUHFOSPRSA-N
MW322.41 g/mol
LogP2.89
Rot. Bonds8

About N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide

N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide (PubChem CID 135076144) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide
PubChem CID135076144
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide
SMILESC=CCN(NC(/C=C/c1ccccc1)CO)C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-15-22(20(24)18-11-7-4-8-12-18)21-19(16-23)14-13-17-9-5-3-6-10-17/h2-14,19,21,23H,1,15-16H2/b14-13+
InChIKeyKSTHKYHRORDPMU-BUHFOSPRSA-N
XLogP2.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol
CID 11392226
N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide
CID 135076885
(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol
CID 134955286
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate
CID 67624373
CID 102012562
CID 102012562
CID 102012554
CID 102012554
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
CID 10752241
(1R,2S)-1-phenyl-2-[[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]-prop-2-enylamino]propan-1-ol
CID 101125405
2-ethenyl-4-phenylbut-3-enoic acid
CID 54369219
4-phenyl-2-sulfanylbut-3-en-1-ol
CID 57241408

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide?
The IUPAC name of N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide (CID 135076144) is N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide.
What is the SMILES notation for N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide?
The canonical SMILES for N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide is C=CCN(NC(/C=C/c1ccccc1)CO)C(=O)c1ccccc1.
What is the InChIKey of N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide?
The InChIKey is KSTHKYHRORDPMU-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-15-22(20(24)18-11-7-4-8-12-18)21-19(16-23)14-13-17-9-5-3-6-10-17/h2-14,19,21,23H,1,15-16H2/b14-13+.
What are the key properties of N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide?
N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide has a molecular weight of 322.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide is sourced from PubChem (CID 135076144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).