N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide

C21H26N2O — CID 101191321

IUPACN'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide
SMILESC=C[C@@H](C)[C@@](CC)(NNC(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O/c1-5-17(4)21(6-2,19-14-12-16(3)13-15-19)23-22-20(24)18-10-8-7-9-11-18/h5,7-15,17,23H,1,6H2,2-4H3,(H,22,24)/t17-,21-/m1/s1
InChIKeyUHAIVVCEOBMSAV-DYESRHJHSA-N
MW322.45 g/mol
LogP4.36
Rot. Bonds7

About N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide

N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide (PubChem CID 101191321) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide
PubChem CID101191321
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide
SMILESC=C[C@@H](C)[C@@](CC)(NNC(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O/c1-5-17(4)21(6-2,19-14-12-16(3)13-15-19)23-22-20(24)18-10-8-7-9-11-18/h5,7-15,17,23H,1,6H2,2-4H3,(H,22,24)/t17-,21-/m1/s1
InChIKeyUHAIVVCEOBMSAV-DYESRHJHSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide?
The IUPAC name of N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide (CID 101191321) is N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide.
What is the SMILES notation for N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide?
The canonical SMILES for N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide is C=C[C@@H](C)[C@@](CC)(NNC(=O)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide?
The InChIKey is UHAIVVCEOBMSAV-DYESRHJHSA-N. The full InChI is InChI=1S/C21H26N2O/c1-5-17(4)21(6-2,19-14-12-16(3)13-15-19)23-22-20(24)18-10-8-7-9-11-18/h5,7-15,17,23H,1,6H2,2-4H3,(H,22,24)/t17-,21-/m1/s1.
What are the key properties of N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide?
N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide has a molecular weight of 322.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R,4R)-4-methyl-3-(4-methylphenyl)hex-5-en-3-yl]benzohydrazide is sourced from PubChem (CID 101191321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).