N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide

C16H22N2O2 — CID 90371495

IUPACN'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide
SMILESC[C@H](C(=O)NNC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22N2O2/c1-12(13-8-4-2-5-9-13)15(19)17-18-16(20)14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyRDXQYZTWGCVLGS-LBPRGKRZSA-N
MW274.36 g/mol
LogP2.66
Rot. Bonds3

About N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide

N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide (PubChem CID 90371495) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide
PubChem CID90371495
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide
SMILESC[C@H](C(=O)NNC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22N2O2/c1-12(13-8-4-2-5-9-13)15(19)17-18-16(20)14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyRDXQYZTWGCVLGS-LBPRGKRZSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N'-benzoyl-N'-(1-cyclohexylethyl)benzohydrazide
CID 139683591
ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate
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N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613190
N'-(2-amino-3-methylbutanoyl)benzohydrazide
CID 82116600
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 134997515
N'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897
N-[1-[(1-cyclopentyl-2-phenylethyl)amino]-1-oxopropan-2-yl]benzamide
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CID 39963895

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide?
The IUPAC name of N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide (CID 90371495) is N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide.
What is the SMILES notation for N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide?
The canonical SMILES for N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide is C[C@H](C(=O)NNC(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide?
The InChIKey is RDXQYZTWGCVLGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(13-8-4-2-5-9-13)15(19)17-18-16(20)14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,17,19)(H,18,20)/t12-/m0/s1.
What are the key properties of N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide?
N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide has a molecular weight of 274.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide is sourced from PubChem (CID 90371495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).