ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate

C14H25N3O3 — CID 61231344

IUPACethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H25N3O3/c1-3-17(9-13(18)16-14(19)20-4-2)12-7-10-5-6-11(8-12)15-10/h10-12,15H,3-9H2,1-2H3,(H,16,18,19)
InChIKeyWPDJJMXEVTZZRW-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.86
Rot. Bonds5

About ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate

ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate (PubChem CID 61231344) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate
PubChem CID61231344
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H25N3O3/c1-3-17(9-13(18)16-14(19)20-4-2)12-7-10-5-6-11(8-12)15-10/h10-12,15H,3-9H2,1-2H3,(H,16,18,19)
InChIKeyWPDJJMXEVTZZRW-UHFFFAOYSA-N
XLogP0.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide
CID 61230973
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide
CID 61230790
tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate
CID 61230595
ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate
CID 43607361
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide
CID 61231741
ethyl 2-[acetyl-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]acetate
CID 59577523
N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79173476
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide
CID 61485502
1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
CID 79161480
ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792486
2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 43656480

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate (CID 61231344) is ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)C1CC2CCC(C1)N2.
What is the InChIKey of ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate?
The InChIKey is WPDJJMXEVTZZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-17(9-13(18)16-14(19)20-4-2)12-7-10-5-6-11(8-12)15-10/h10-12,15H,3-9H2,1-2H3,(H,16,18,19).
What are the key properties of ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate?
ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate has a molecular weight of 283.37 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate is sourced from PubChem (CID 61231344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).