ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate

C15H22N2O3 — CID 155523399

IUPACethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NCCCCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)17-12-14(18)16-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyYLUCNFYNOFWQDG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.87
Rot. Bonds8

About ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate

ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate (PubChem CID 155523399) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate
PubChem CID155523399
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NCCCCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)17-12-14(18)16-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyYLUCNFYNOFWQDG-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate (CID 155523399) is ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate is CCOC(=O)NCC(=O)NCCCCc1ccccc1.
What is the InChIKey of ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate?
The InChIKey is YLUCNFYNOFWQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-15(19)17-12-14(18)16-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,18)(H,17,19).
What are the key properties of ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate?
ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-oxo-2-(4-phenylbutylamino)ethyl]carbamate is sourced from PubChem (CID 155523399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).