ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate

C15H22N2O3 — CID 90064049

IUPACethyl N-[5-(benzylamino)-5-oxopentyl]carbamate
SMILESCCOC(=O)NCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)16-11-7-6-10-14(18)17-12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,19)(H,17,18)
InChIKeyKMWXIFXDUMFNQF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.22
Rot. Bonds8

About ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate

ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate (PubChem CID 90064049) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(benzylamino)-5-oxopentyl]carbamate
PubChem CID90064049
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl N-[5-(benzylamino)-5-oxopentyl]carbamate
SMILESCCOC(=O)NCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)16-11-7-6-10-14(18)17-12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,19)(H,17,18)
InChIKeyKMWXIFXDUMFNQF-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate?
The IUPAC name of ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate (CID 90064049) is ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate.
What is the SMILES notation for ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate?
The canonical SMILES for ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate is CCOC(=O)NCCCCC(=O)NCc1ccccc1.
What is the InChIKey of ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate?
The InChIKey is KMWXIFXDUMFNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-15(19)16-11-7-6-10-14(18)17-12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,19)(H,17,18).
What are the key properties of ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate?
ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(benzylamino)-5-oxopentyl]carbamate is sourced from PubChem (CID 90064049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).