N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide

C18H24N2O3 — CID 110877650

IUPACN-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide
SMILESCC(NC(=O)C=Cc1ccccc1)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C18H24N2O3/c1-13(18(23)20-15-8-10-16(21)11-9-15)19-17(22)12-7-14-5-3-2-4-6-14/h2-7,12-13,15-16,21H,8-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyIZLPODUKCGIYHJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.62
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide

N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide (PubChem CID 110877650) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide
PubChem CID110877650
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide
SMILESCC(NC(=O)C=Cc1ccccc1)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C18H24N2O3/c1-13(18(23)20-15-8-10-16(21)11-9-15)19-17(22)12-7-14-5-3-2-4-6-14/h2-7,12-13,15-16,21H,8-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyIZLPODUKCGIYHJ-UHFFFAOYSA-N
XLogP1.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8940575
N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
CID 55440201
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
(E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9327221
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 111697011
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
2-methyl-N-[1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidin-4-yl]benzamide
CID 55689247
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
CID 55490185

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide (CID 110877650) is N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide is CC(NC(=O)C=Cc1ccccc1)C(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide?
The InChIKey is IZLPODUKCGIYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(18(23)20-15-8-10-16(21)11-9-15)19-17(22)12-7-14-5-3-2-4-6-14/h2-7,12-13,15-16,21H,8-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide?
N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide is sourced from PubChem (CID 110877650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).