[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium

C18H24N3O2+ — CID 9396559

IUPAC[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
SMILESCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-3-11-19-18(23)21-17(22)12-20-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,20H,3,11-12H2,1-2H3,(H2,19,21,22,23)/p+1/t13-/m0/s1
InChIKeyWYIFJXYGPIUEAX-ZDUSSCGKSA-O
MW314.41 g/mol
LogP1.70
Rot. Bonds6

About [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium

[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium (PubChem CID 9396559) has the molecular formula C18H24N3O2+ and a molecular weight of 314.41 g/mol. Its IUPAC name is [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
PubChem CID9396559
Molecular FormulaC18H24N3O2+
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
SMILESCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-3-11-19-18(23)21-17(22)12-20-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,20H,3,11-12H2,1-2H3,(H2,19,21,22,23)/p+1/t13-/m0/s1
InChIKeyWYIFJXYGPIUEAX-ZDUSSCGKSA-O
XLogP1.70
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)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

[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396803
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9368960
[2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397491
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9132326
[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9377247
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397352
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396987
2-chloro-2-naphthalen-1-yl-N-propylacetamide
CID 62224763
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397333
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397020
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397675

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium?
The IUPAC name of [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium (CID 9396559) is [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium?
The canonical SMILES for [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium is CCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc12.
What is the InChIKey of [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium?
The InChIKey is WYIFJXYGPIUEAX-ZDUSSCGKSA-O. The full InChI is InChI=1S/C18H23N3O2/c1-3-11-19-18(23)21-17(22)12-20-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,20H,3,11-12H2,1-2H3,(H2,19,21,22,23)/p+1/t13-/m0/s1.
What are the key properties of [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium?
[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium has a molecular weight of 314.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 9396559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).