2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide

C20H28N2O3 — CID 75125584

IUPAC2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide
SMILESCOc1ccc(C=CC(=O)NC(C)C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C20H28N2O3/c1-14-6-4-5-7-18(14)22-20(24)15(2)21-19(23)13-10-16-8-11-17(25-3)12-9-16/h8-15,18H,4-7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJSONVSKARRAJBC-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.91
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide

2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide (PubChem CID 75125584) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide
PubChem CID75125584
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide
SMILESCOc1ccc(C=CC(=O)NC(C)C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C20H28N2O3/c1-14-6-4-5-7-18(14)22-20(24)15(2)21-19(23)13-10-16-8-11-17(25-3)12-9-16/h8-15,18H,4-7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJSONVSKARRAJBC-UHFFFAOYSA-N
XLogP2.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
CID 55717413
N-[3-(cyclohexylamino)-3-oxopropyl]-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55951186
N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 76941549
(2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9318759
N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
CID 55490185
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(1-propylpiperidin-4-yl)propanamide
CID 102603957
(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18161234
(E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
CID 110497204
(E)-3-(4-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18160171
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 11934989
N-[(4-methoxyphenyl)methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18162307

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide (CID 75125584) is 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide is COc1ccc(C=CC(=O)NC(C)C(=O)NC2CCCCC2C)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide?
The InChIKey is JSONVSKARRAJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-6-4-5-7-18(14)22-20(24)15(2)21-19(23)13-10-16-8-11-17(25-3)12-9-16/h8-15,18H,4-7H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide?
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide has a molecular weight of 344.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 75125584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).