ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C21H30N3O2+ — CID 8792952

IUPACethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)NC(C)C)CC(=O)N[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C21H29N3O2/c1-5-24(13-20(25)22-15(2)3)14-21(26)23-16(4)18-12-8-10-17-9-6-7-11-19(17)18/h6-12,15-16H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)/p+1/t16-/m0/s1
InChIKeyIWQJNZBMFZCVBR-INIZCTEOSA-O
MW356.49 g/mol
LogP1.45
Rot. Bonds8

About ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8792952) has the molecular formula C21H30N3O2+ and a molecular weight of 356.49 g/mol. Its IUPAC name is ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8792952
Molecular FormulaC21H30N3O2+
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC Nameethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)NC(C)C)CC(=O)N[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C21H29N3O2/c1-5-24(13-20(25)22-15(2)3)14-21(26)23-16(4)18-12-8-10-17-9-6-7-11-19(17)18/h6-12,15-16H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)/p+1/t16-/m0/s1
InChIKeyIWQJNZBMFZCVBR-INIZCTEOSA-O
XLogP1.45
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium 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

N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906830
[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907146
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-(1-naphthalen-1-ylethyl)tetradecanamide
CID 86181225
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
CID 8911226
5-hydroxy-N-(1-naphthalen-1-ylethyl)pentanamide
CID 79199719
methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
CID 8815031
ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906695
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8922326
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N-[(1R)-1-naphthalen-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 95276423

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8792952) is ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC[NH+](CC(=O)NC(C)C)CC(=O)N[C@@H](C)c1cccc2ccccc12.
What is the InChIKey of ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is IWQJNZBMFZCVBR-INIZCTEOSA-O. The full InChI is InChI=1S/C21H29N3O2/c1-5-24(13-20(25)22-15(2)3)14-21(26)23-16(4)18-12-8-10-17-9-6-7-11-19(17)18/h6-12,15-16H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)/p+1/t16-/m0/s1.
What are the key properties of ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 356.49 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8792952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).