N'-[(4S)-undec-1-en-4-yl]benzohydrazide

C18H28N2O — CID 142708092

IUPACN'-[(4S)-undec-1-en-4-yl]benzohydrazide
SMILESC=CC[C@H](CCCCCCC)NNC(=O)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-3-5-6-7-11-15-17(12-4-2)19-20-18(21)16-13-9-8-10-14-16/h4,8-10,13-14,17,19H,2-3,5-7,11-12,15H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeySYTKNQHZXNCEGT-QGZVFWFLSA-N
MW288.43 g/mol
LogP4.23
Rot. Bonds11

About N'-[(4S)-undec-1-en-4-yl]benzohydrazide

N'-[(4S)-undec-1-en-4-yl]benzohydrazide (PubChem CID 142708092) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N'-[(4S)-undec-1-en-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(4S)-undec-1-en-4-yl]benzohydrazide
PubChem CID142708092
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN'-[(4S)-undec-1-en-4-yl]benzohydrazide
SMILESC=CC[C@H](CCCCCCC)NNC(=O)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-3-5-6-7-11-15-17(12-4-2)19-20-18(21)16-13-9-8-10-14-16/h4,8-10,13-14,17,19H,2-3,5-7,11-12,15H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeySYTKNQHZXNCEGT-QGZVFWFLSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-[(4S)-undec-1-en-4-yl]benzohydrazide?
The IUPAC name of N'-[(4S)-undec-1-en-4-yl]benzohydrazide (CID 142708092) is N'-[(4S)-undec-1-en-4-yl]benzohydrazide.
What is the SMILES notation for N'-[(4S)-undec-1-en-4-yl]benzohydrazide?
The canonical SMILES for N'-[(4S)-undec-1-en-4-yl]benzohydrazide is C=CC[C@H](CCCCCCC)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[(4S)-undec-1-en-4-yl]benzohydrazide?
The InChIKey is SYTKNQHZXNCEGT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-5-6-7-11-15-17(12-4-2)19-20-18(21)16-13-9-8-10-14-16/h4,8-10,13-14,17,19H,2-3,5-7,11-12,15H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N'-[(4S)-undec-1-en-4-yl]benzohydrazide?
N'-[(4S)-undec-1-en-4-yl]benzohydrazide has a molecular weight of 288.43 g/mol, XLogP of 4.23, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4S)-undec-1-en-4-yl]benzohydrazide is sourced from PubChem (CID 142708092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).