[2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate

C18H25NO3 — CID 4079034

IUPAC[2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate
SMILESCC(=O)OC(CN(C(C)=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-14(20)19(17-11-7-4-8-12-17)13-18(22-15(2)21)16-9-5-3-6-10-16/h3,5-6,9-10,17-18H,4,7-8,11-13H2,1-2H3
InChIKeyUMGCYOPPGFJQDG-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.47
Rot. Bonds5

About [2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate

[2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate (PubChem CID 4079034) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate
PubChem CID4079034
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate
SMILESCC(=O)OC(CN(C(C)=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-14(20)19(17-11-7-4-8-12-17)13-18(22-15(2)21)16-9-5-3-6-10-16/h3,5-6,9-10,17-18H,4,7-8,11-13H2,1-2H3
InChIKeyUMGCYOPPGFJQDG-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate?
The IUPAC name of [2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate (CID 4079034) is [2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate.
What is the SMILES notation for [2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate?
The canonical SMILES for [2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate is CC(=O)OC(CN(C(C)=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of [2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate?
The InChIKey is UMGCYOPPGFJQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(20)19(17-11-7-4-8-12-17)13-18(22-15(2)21)16-9-5-3-6-10-16/h3,5-6,9-10,17-18H,4,7-8,11-13H2,1-2H3.
What are the key properties of [2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate?
[2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate has a molecular weight of 303.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate is sourced from PubChem (CID 4079034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).