methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium

C24H28N3O2+ — CID 9466761

IUPACmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
SMILESC[C@H](CNC(=O)C[NH+](C)CC(=O)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-18(19-9-4-3-5-10-19)15-25-23(28)16-27(2)17-24(29)26-22-14-8-12-20-11-6-7-13-21(20)22/h3-14,18H,15-17H2,1-2H3,(H,25,28)(H,26,29)/p+1/t18-/m1/s1
InChIKeySNFRPWKHIQUBMO-GOSISDBHSA-O
MW390.51 g/mol
LogP2.21
Rot. Bonds8

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

methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium (PubChem CID 9466761) has the molecular formula C24H28N3O2+ and a molecular weight of 390.51 g/mol. Its IUPAC name is methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
PubChem CID9466761
Molecular FormulaC24H28N3O2+
Molecular Weight390.51 g/mol
Exact Mass390.22
IUPAC Namemethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
SMILESC[C@H](CNC(=O)C[NH+](C)CC(=O)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-18(19-9-4-3-5-10-19)15-25-23(28)16-27(2)17-24(29)26-22-14-8-12-20-11-6-7-13-21(20)22/h3-14,18H,15-17H2,1-2H3,(H,25,28)(H,26,29)/p+1/t18-/m1/s1
InChIKeySNFRPWKHIQUBMO-GOSISDBHSA-O
XLogP2.21
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]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

methyl-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197703
benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 8901087
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 9222015
methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-oxo-2-[[(2R)-2-phenylbutyl]amino]ethyl]azanium
CID 8558970
methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium
CID 8006194
methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
CID 8592781
[(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate
CID 102238094
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
CID 40798663
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-naphthalen-1-ylacetate
CID 7867083

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium?
The IUPAC name of methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium (CID 9466761) is methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium.
What is the SMILES notation for methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium?
The canonical SMILES for methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium is C[C@H](CNC(=O)C[NH+](C)CC(=O)Nc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium?
The InChIKey is SNFRPWKHIQUBMO-GOSISDBHSA-O. The full InChI is InChI=1S/C24H27N3O2/c1-18(19-9-4-3-5-10-19)15-25-23(28)16-27(2)17-24(29)26-22-14-8-12-20-11-6-7-13-21(20)22/h3-14,18H,15-17H2,1-2H3,(H,25,28)(H,26,29)/p+1/t18-/m1/s1.
What are the key properties of methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium?
methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium has a molecular weight of 390.51 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium is sourced from PubChem (CID 9466761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).