[2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate

C15H23NO3 — CID 11288559

IUPAC[2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate
SMILESCCN(C(=O)COC(C)=O)C1=CC(C)(C)CC(C)=C1
InChIInChI=1S/C15H23NO3/c1-6-16(14(18)10-19-12(3)17)13-7-11(2)8-15(4,5)9-13/h7,9H,6,8,10H2,1-5H3
InChIKeyNRFFNSWEPWXXOH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.66
Rot. Bonds4

About [2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate

[2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate (PubChem CID 11288559) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate
PubChem CID11288559
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate
SMILESCCN(C(=O)COC(C)=O)C1=CC(C)(C)CC(C)=C1
InChIInChI=1S/C15H23NO3/c1-6-16(14(18)10-19-12(3)17)13-7-11(2)8-15(4,5)9-13/h7,9H,6,8,10H2,1-5H3
InChIKeyNRFFNSWEPWXXOH-UHFFFAOYSA-N
XLogP2.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate (CID 11288559) is [2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate is CCN(C(=O)COC(C)=O)C1=CC(C)(C)CC(C)=C1.
What is the InChIKey of [2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate?
The InChIKey is NRFFNSWEPWXXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-16(14(18)10-19-12(3)17)13-7-11(2)8-15(4,5)9-13/h7,9H,6,8,10H2,1-5H3.
What are the key properties of [2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate?
[2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate has a molecular weight of 265.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]-2-oxoethyl] acetate is sourced from PubChem (CID 11288559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).