2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide

C22H32N2O4 — CID 55717413

IUPAC2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)C(=O)NCCOC2CCCCC2C)cc1
InChIInChI=1S/C22H32N2O4/c1-16-6-4-5-7-20(16)28-15-14-23-22(26)17(2)24-21(25)13-10-18-8-11-19(27-3)12-9-18/h8-13,16-17,20H,4-7,14-15H2,1-3H3,(H,23,26)(H,24,25)/b13-10+
InChIKeySCMXJLGLWCPVBI-JLHYYAGUSA-N
MW388.51 g/mol
LogP2.92
Rot. Bonds9

About 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide

2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide (PubChem CID 55717413) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide.

Molecular Properties

Compound Name2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
PubChem CID55717413
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)C(=O)NCCOC2CCCCC2C)cc1
InChIInChI=1S/C22H32N2O4/c1-16-6-4-5-7-20(16)28-15-14-23-22(26)17(2)24-21(25)13-10-18-8-11-19(27-3)12-9-18/h8-13,16-17,20H,4-7,14-15H2,1-3H3,(H,23,26)(H,24,25)/b13-10+
InChIKeySCMXJLGLWCPVBI-JLHYYAGUSA-N
XLogP2.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide
CID 75125584
N-[3-(cyclohexylamino)-3-oxopropyl]-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55951186
N-[(4-methoxyphenyl)methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18162307
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55521357
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 55326556
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18163602
(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18161234
(E)-3-(4-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18160171
N-[2-(3-fluorophenyl)ethyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 51214636
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
N-[2-(3-chlorophenyl)ethyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 51177311

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide?
The IUPAC name of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide (CID 55717413) is 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide.
What is the SMILES notation for 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide?
The canonical SMILES for 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide is COc1ccc(/C=C/C(=O)NC(C)C(=O)NCCOC2CCCCC2C)cc1.
What is the InChIKey of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide?
The InChIKey is SCMXJLGLWCPVBI-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-16-6-4-5-7-20(16)28-15-14-23-22(26)17(2)24-21(25)13-10-18-8-11-19(27-3)12-9-18/h8-13,16-17,20H,4-7,14-15H2,1-3H3,(H,23,26)(H,24,25)/b13-10+.
What are the key properties of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide?
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide has a molecular weight of 388.51 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide is sourced from PubChem (CID 55717413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).