2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide

C16H19N3O2 — CID 2379236

IUPAC2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide
SMILESC[C@@H]1C=C(NNC(=O)COc2ccc(C#N)cc2)CCC1
InChIInChI=1S/C16H19N3O2/c1-12-3-2-4-14(9-12)18-19-16(20)11-21-15-7-5-13(10-17)6-8-15/h5-9,12,18H,2-4,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyQDTJZWHDRHLPAF-LBPRGKRZSA-N
MW285.35 g/mol
LogP2.26
Rot. Bonds5

About 2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide

2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide (PubChem CID 2379236) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide
PubChem CID2379236
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide
SMILESC[C@@H]1C=C(NNC(=O)COc2ccc(C#N)cc2)CCC1
InChIInChI=1S/C16H19N3O2/c1-12-3-2-4-14(9-12)18-19-16(20)11-21-15-7-5-13(10-17)6-8-15/h5-9,12,18H,2-4,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyQDTJZWHDRHLPAF-LBPRGKRZSA-N
XLogP2.26
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217343
2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 47314511
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
CID 7978445
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 94799999
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
methyl (1S,2R,3R,4S)-3-[[2-(4-cyanophenoxy)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124853790
2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide
CID 7917946
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide?
The IUPAC name of 2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide (CID 2379236) is 2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide?
The canonical SMILES for 2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide is C[C@@H]1C=C(NNC(=O)COc2ccc(C#N)cc2)CCC1.
What is the InChIKey of 2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide?
The InChIKey is QDTJZWHDRHLPAF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-3-2-4-14(9-12)18-19-16(20)11-21-15-7-5-13(10-17)6-8-15/h5-9,12,18H,2-4,11H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide?
2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide has a molecular weight of 285.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N'-[(3S)-3-methylcyclohexen-1-yl]acetohydrazide is sourced from PubChem (CID 2379236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).