[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium

C24H26N3O2+ — CID 8695493

IUPAC[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C24H25N3O2/c1-17(21-9-4-7-18-6-2-3-8-22(18)21)25-16-23(28)26-19-11-13-20(14-12-19)27-15-5-10-24(27)29/h2-4,6-9,11-14,17,25H,5,10,15-16H2,1H3,(H,26,28)/p+1/t17-/m0/s1
InChIKeyGKFXMGXHIPAKBQ-KRWDZBQOSA-O
MW388.49 g/mol
LogP3.23
Rot. Bonds6

About [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium

[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium (PubChem CID 8695493) has the molecular formula C24H26N3O2+ and a molecular weight of 388.49 g/mol. Its IUPAC name is [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
PubChem CID8695493
Molecular FormulaC24H26N3O2+
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C24H25N3O2/c1-17(21-9-4-7-18-6-2-3-8-22(18)21)25-16-23(28)26-19-11-13-20(14-12-19)27-15-5-10-24(27)29/h2-4,6-9,11-14,17,25H,5,10,15-16H2,1H3,(H,26,28)/p+1/t17-/m0/s1
InChIKeyGKFXMGXHIPAKBQ-KRWDZBQOSA-O
XLogP3.23
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium with MolForge

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Related Compounds

2-naphthalen-1-yl-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]acetamide
CID 8747408
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396987
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8992770
N-[4-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687294
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8778699
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8914392
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397352
[(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium
CID 9348920
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?
The IUPAC name of [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium (CID 8695493) is [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium.
What is the SMILES notation for [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?
The canonical SMILES for [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium is C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc2ccccc12.
What is the InChIKey of [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?
The InChIKey is GKFXMGXHIPAKBQ-KRWDZBQOSA-O. The full InChI is InChI=1S/C24H25N3O2/c1-17(21-9-4-7-18-6-2-3-8-22(18)21)25-16-23(28)26-19-11-13-20(14-12-19)27-15-5-10-24(27)29/h2-4,6-9,11-14,17,25H,5,10,15-16H2,1H3,(H,26,28)/p+1/t17-/m0/s1.
What are the key properties of [(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?
[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium has a molecular weight of 388.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 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-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium is sourced from PubChem (CID 8695493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).