N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide

C17H22N2O3 — CID 927016

IUPACN'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide
SMILESCOc1ccccc1/C=C/C(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C17H22N2O3/c1-22-15-10-6-5-7-13(15)11-12-16(20)18-19-17(21)14-8-3-2-4-9-14/h5-7,10-12,14H,2-4,8-9H2,1H3,(H,18,20)(H,19,21)/b12-11+
InChIKeyAVARNZKXYBGEGC-VAWYXSNFSA-N
MW302.37 g/mol
LogP2.44
Rot. Bonds4

About N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide

N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide (PubChem CID 927016) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide
PubChem CID927016
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide
SMILESCOc1ccccc1/C=C/C(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C17H22N2O3/c1-22-15-10-6-5-7-13(15)11-12-16(20)18-19-17(21)14-8-3-2-4-9-14/h5-7,10-12,14H,2-4,8-9H2,1H3,(H,18,20)(H,19,21)/b12-11+
InChIKeyAVARNZKXYBGEGC-VAWYXSNFSA-N
XLogP2.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 104957085
N-(azepane-1-carbothioyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 927039
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
CID 4923184
1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2929140
N-[4-[[3-(2-methoxyphenyl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 5129481
1-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 45427653
N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-N-methylbenzamide
CID 4939107
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide
CID 122514304
(E)-3-(2-methoxyphenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 26168074

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide (CID 927016) is N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide is COc1ccccc1/C=C/C(=O)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide?
The InChIKey is AVARNZKXYBGEGC-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-22-15-10-6-5-7-13(15)11-12-16(20)18-19-17(21)14-8-3-2-4-9-14/h5-7,10-12,14H,2-4,8-9H2,1H3,(H,18,20)(H,19,21)/b12-11+.
What are the key properties of N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide?
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide has a molecular weight of 302.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 927016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).