[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

C20H26N2O4 — CID 7284737

IUPAC[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C20H26N2O4/c1-14-8-6-7-11-17(14)22-19(24)13-26-20(25)18(21-15(2)23)12-16-9-4-3-5-10-16/h3-5,9-10,12,14,17H,6-8,11,13H2,1-2H3,(H,21,23)(H,22,24)/b18-12-/t14-,17+/m1/s1
InChIKeyAKJGBZJOKBLDIF-UIAIXCAPSA-N
MW358.44 g/mol
LogP2.40
Rot. Bonds6

About [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 7284737) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID7284737
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C20H26N2O4/c1-14-8-6-7-11-17(14)22-19(24)13-26-20(25)18(21-15(2)23)12-16-9-4-3-5-10-16/h3-5,9-10,12,14,17H,6-8,11,13H2,1-2H3,(H,21,23)(H,22,24)/b18-12-/t14-,17+/m1/s1
InChIKeyAKJGBZJOKBLDIF-UIAIXCAPSA-N
XLogP2.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide
CID 44508527
[2-(cyclohexylmethylamino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610326
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 6519946
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 2610042
cyclohexylmethyl 2-acetamido-3-phenylprop-2-enoate
CID 7229393
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 42974913
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 11934989
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841
2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7644084
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 6600273

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (CID 7284737) is [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is AKJGBZJOKBLDIF-UIAIXCAPSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-8-6-7-11-17(14)22-19(24)13-26-20(25)18(21-15(2)23)12-16-9-4-3-5-10-16/h3-5,9-10,12,14,17H,6-8,11,13H2,1-2H3,(H,21,23)(H,22,24)/b18-12-/t14-,17+/m1/s1.
What are the key properties of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 358.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 7284737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).