(Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide

C18H24N2O2 — CID 44508527

IUPAC(Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)NC1CCCCC1C
InChIInChI=1S/C18H24N2O2/c1-13-8-6-7-11-16(13)20-18(22)17(19-14(2)21)12-15-9-4-3-5-10-15/h3-5,9-10,12-13,16H,6-8,11H2,1-2H3,(H,19,21)(H,20,22)/b17-12-
InChIKeyKBQMNURFRZEDCS-ATVHPVEESA-N
MW300.40 g/mol
LogP2.86
Rot. Bonds4

About (Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide

(Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide (PubChem CID 44508527) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide
PubChem CID44508527
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)NC1CCCCC1C
InChIInChI=1S/C18H24N2O2/c1-13-8-6-7-11-16(13)20-18(22)17(19-14(2)21)12-15-9-4-3-5-10-15/h3-5,9-10,12-13,16H,6-8,11H2,1-2H3,(H,19,21)(H,20,22)/b17-12-
InChIKeyKBQMNURFRZEDCS-ATVHPVEESA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide
CID 3677645
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284737
(E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-phenylprop-2-enamide
CID 7515644
(2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide
CID 5349952
2-cyano-3-[3-[2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
CID 4617152
(Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide
CID 9472917
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 99005028
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 9163961
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
(E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide
CID 43010855
(E)-2-cyano-3-(4-hydroxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7515651

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide (CID 44508527) is (Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide is CC(=O)N/C(=C\c1ccccc1)C(=O)NC1CCCCC1C.
What is the InChIKey of (Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide?
The InChIKey is KBQMNURFRZEDCS-ATVHPVEESA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-8-6-7-11-16(13)20-18(22)17(19-14(2)21)12-15-9-4-3-5-10-15/h3-5,9-10,12-13,16H,6-8,11H2,1-2H3,(H,19,21)(H,20,22)/b17-12-.
What are the key properties of (Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide?
(Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide has a molecular weight of 300.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 44508527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).