[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

C20H26N2O4 — CID 6519946

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C20H26N2O4/c1-15(23)21-18(13-16-9-5-3-6-10-16)20(25)26-14-19(24)22(2)17-11-7-4-8-12-17/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3,(H,21,23)/b18-13-
InChIKeyGEDJFTLOIZHWGX-AQTBWJFISA-N
MW358.44 g/mol
LogP2.50
Rot. Bonds6

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 6519946) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID6519946
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C20H26N2O4/c1-15(23)21-18(13-16-9-5-3-6-10-16)20(25)26-14-19(24)22(2)17-11-7-4-8-12-17/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3,(H,21,23)/b18-13-
InChIKeyGEDJFTLOIZHWGX-AQTBWJFISA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclohexylmethylamino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610326
cyclohexylmethyl 2-acetamido-3-phenylprop-2-enoate
CID 7229393
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284737
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 2610042
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-acetamido-3-phenylprop-2-enoate
CID 7229331
propyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 12635852
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 7043290
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7553457
2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide
CID 3677645
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7983555
[2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284834

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (CID 6519946) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N(C)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is GEDJFTLOIZHWGX-AQTBWJFISA-N. The full InChI is InChI=1S/C20H26N2O4/c1-15(23)21-18(13-16-9-5-3-6-10-16)20(25)26-14-19(24)22(2)17-11-7-4-8-12-17/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3,(H,21,23)/b18-13-.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 358.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 6519946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).