N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide

C18H24N4O3 — CID 166420235

IUPACN-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)NNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H24N4O3/c1-2-16(23)19-15-10-8-13(9-11-15)12-17(24)21-22-18(25)20-14-6-4-3-5-7-14/h2,8-11,14H,1,3-7,12H2,(H,19,23)(H,21,24)(H2,20,22,25)
InChIKeyUHTZDWRAKLHJSG-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.02
Rot. Bonds5

About N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide

N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166420235) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166420235
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)NNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H24N4O3/c1-2-16(23)19-15-10-8-13(9-11-15)12-17(24)21-22-18(25)20-14-6-4-3-5-7-14/h2,8-11,14H,1,3-7,12H2,(H,19,23)(H,21,24)(H2,20,22,25)
InChIKeyUHTZDWRAKLHJSG-UHFFFAOYSA-N
XLogP2.02
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.02
H-Bond Donors ≤ 54
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

N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777
1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-cyclohexyl-3-(4-hexylphenyl)urea
CID 4231179
4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 4981107
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
N-cyclohexyl-2-(4-formylphenyl)acetamide
CID 142533026
1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea
CID 106911506
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclopentane-1-carboxamide
CID 166421213
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclobutane-1-carboxamide
CID 166421359

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide (CID 166420235) is N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CC(=O)NNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is UHTZDWRAKLHJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-16(23)19-15-10-8-13(9-11-15)12-17(24)21-22-18(25)20-14-6-4-3-5-7-14/h2,8-11,14H,1,3-7,12H2,(H,19,23)(H,21,24)(H2,20,22,25).
What are the key properties of N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide?
N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 344.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).