[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate

C19H25NO3 — CID 25162572

IUPAC[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
SMILESCC(OC(=O)/C=C/c1ccccc1)C(=O)NC1CCCCC1C
InChIInChI=1S/C19H25NO3/c1-14-8-6-7-11-17(14)20-19(22)15(2)23-18(21)13-12-16-9-4-3-5-10-16/h3-5,9-10,12-15,17H,6-8,11H2,1-2H3,(H,20,22)/b13-12+
InChIKeyLGPUFMUNOIMBHS-OUKQBFOZSA-N
MW315.41 g/mol
LogP3.33
Rot. Bonds5

About [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate

[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate (PubChem CID 25162572) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
PubChem CID25162572
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
SMILESCC(OC(=O)/C=C/c1ccccc1)C(=O)NC1CCCCC1C
InChIInChI=1S/C19H25NO3/c1-14-8-6-7-11-17(14)20-19(22)15(2)23-18(21)13-12-16-9-4-3-5-10-16/h3-5,9-10,12-15,17H,6-8,11H2,1-2H3,(H,20,22)/b13-12+
InChIKeyLGPUFMUNOIMBHS-OUKQBFOZSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2097084
2-(cyclopentylamino)-2-oxoethyl (2E)-3-phenylprop-2-enoate
CID 2355331
[2-(Benzylamino)-2-oxoethyl] 2-methylprop-2-enoate
CID 2447792
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2366888
[2-oxo-2-(propylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2413673
[2-oxo-2-(propan-2-ylamino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2425294
2-(cyclohexylamino)-2-oxoethyl (2E)-3-phenylprop-2-enoate
CID 2509328
bis[2-(benzylamino)-2-oxoethyl] (E)-2-methylbut-2-enedioate
CID 6391584
4-O-[2-(benzylamino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 6393417
[2-(cyclopentylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284848
[2-(cyclohexylmethylamino)-2-oxoethyl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 7690211
[2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate
CID 118706168

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate (CID 25162572) is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate is CC(OC(=O)/C=C/c1ccccc1)C(=O)NC1CCCCC1C.
What is the InChIKey of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate?
The InChIKey is LGPUFMUNOIMBHS-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H25NO3/c1-14-8-6-7-11-17(14)20-19(22)15(2)23-18(21)13-12-16-9-4-3-5-10-16/h3-5,9-10,12-15,17H,6-8,11H2,1-2H3,(H,20,22)/b13-12+.
What are the key properties of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate?
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate has a molecular weight of 315.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 25162572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).