[(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium

C18H25N2O+ — CID 8695425

IUPAC[(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
SMILESCC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C18H24N2O/c1-12(2)19-18(21)14(4)20-13(3)16-11-7-9-15-8-5-6-10-17(15)16/h5-14,20H,1-4H3,(H,19,21)/p+1/t13-,14-/m0/s1
InChIKeyISUMJFHILVVUFS-KBPBESRZSA-O
MW285.41 g/mol
LogP2.38
Rot. Bonds5

About [(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium

[(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium (PubChem CID 8695425) has the molecular formula C18H25N2O+ and a molecular weight of 285.41 g/mol. Its IUPAC name is [(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium.

Molecular Properties

Compound Name[(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
PubChem CID8695425
Molecular FormulaC18H25N2O+
Molecular Weight285.41 g/mol
Exact Mass285.20
IUPAC Name[(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
SMILESCC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C18H24N2O/c1-12(2)19-18(21)14(4)20-13(3)16-11-7-9-15-8-5-6-10-17(15)16/h5-14,20H,1-4H3,(H,19,21)/p+1/t13-,14-/m0/s1
InChIKeyISUMJFHILVVUFS-KBPBESRZSA-O
XLogP2.38
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]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

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 8695317
2-amino-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 23548500
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 8695295
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9045143
[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 9368994
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-naphthalen-1-ylpropanehydrazide
CID 116843953
N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635
[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135809561
ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8792952
3-naphthalen-1-ylbutanoic acid
CID 43211329

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium?
The IUPAC name of [(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium (CID 8695425) is [(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium.
What is the SMILES notation for [(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium?
The canonical SMILES for [(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium is CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc12.
What is the InChIKey of [(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium?
The InChIKey is ISUMJFHILVVUFS-KBPBESRZSA-O. The full InChI is InChI=1S/C18H24N2O/c1-12(2)19-18(21)14(4)20-13(3)16-11-7-9-15-8-5-6-10-17(15)16/h5-14,20H,1-4H3,(H,19,21)/p+1/t13-,14-/m0/s1.
What are the key properties of [(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium?
[(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium has a molecular weight of 285.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium is sourced from PubChem (CID 8695425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).