[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate

C19H25NO3 — CID 2364708

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
SMILESCCN(C(=O)COC(=O)/C=C/c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H25NO3/c1-2-20(17-11-7-4-8-12-17)18(21)15-23-19(22)14-13-16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17H,2,4,7-8,11-12,15H2,1H3/b14-13+
InChIKeyYADGQJFLNSZIHW-BUHFOSPRSA-N
MW315.41 g/mol
LogP3.42
Rot. Bonds6

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate (PubChem CID 2364708) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
PubChem CID2364708
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
SMILESCCN(C(=O)COC(=O)/C=C/c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H25NO3/c1-2-20(17-11-7-4-8-12-17)18(21)15-23-19(22)14-13-16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17H,2,4,7-8,11-12,15H2,1H3/b14-13+
InChIKeyYADGQJFLNSZIHW-BUHFOSPRSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate (CID 2364708) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate is CCN(C(=O)COC(=O)/C=C/c1ccccc1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is YADGQJFLNSZIHW-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-20(17-11-7-4-8-12-17)18(21)15-23-19(22)14-13-16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17H,2,4,7-8,11-12,15H2,1H3/b14-13+.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 315.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 2364708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).