(E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide

C19H25N3O3 — CID 9327221

IUPAC(E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C19H25N3O3/c1-14(20-17(23)13-12-15-8-4-2-5-9-15)18(24)21-22-19(25)16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H,20,23)(H,21,24)(H,22,25)/b13-12+/t14-/m0/s1
InChIKeyGEJDKCDJTLXRAX-FNDVETGQSA-N
MW343.43 g/mol
LogP1.93
Rot. Bonds5

About (E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide

(E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide (PubChem CID 9327221) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
PubChem CID9327221
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C19H25N3O3/c1-14(20-17(23)13-12-15-8-4-2-5-9-15)18(24)21-22-19(25)16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H,20,23)(H,21,24)(H,22,25)/b13-12+/t14-/m0/s1
InChIKeyGEJDKCDJTLXRAX-FNDVETGQSA-N
XLogP1.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.93
H-Bond Donors ≤ 53
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'}

Analyze (E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55691057
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide
CID 110877650
(E)-N-[(2S)-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]propan-2-yl]-3-phenylprop-2-enamide
CID 9271834
N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110887309
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8940575
N-[3-(hydroxyamino)-4-oxobut-3-en-2-yl]-3-phenylprop-2-enamide
CID 176530208
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 11934989

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide (CID 9327221) is (E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide is C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C1CCCCC1.
What is the InChIKey of (E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide?
The InChIKey is GEJDKCDJTLXRAX-FNDVETGQSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(20-17(23)13-12-15-8-4-2-5-9-15)18(24)21-22-19(25)16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H,20,23)(H,21,24)(H,22,25)/b13-12+/t14-/m0/s1.
What are the key properties of (E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide?
(E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide has a molecular weight of 343.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9327221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).