[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium

C24H32N3O2+ — CID 8992770

IUPAC[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
SMILESCCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3=O)cc2)C(C)C)cc1
InChIInChI=1S/C24H31N3O2/c1-4-18-7-9-19(10-8-18)24(17(2)3)25-16-22(28)26-20-11-13-21(14-12-20)27-15-5-6-23(27)29/h7-14,17,24-25H,4-6,15-16H2,1-3H3,(H,26,28)/p+1/t24-/m1/s1
InChIKeyVDEQQYKIIHCDDS-XMMPIXPASA-O
MW394.54 g/mol
LogP3.28
Rot. Bonds8

About [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium

[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium (PubChem CID 8992770) has the molecular formula C24H32N3O2+ and a molecular weight of 394.54 g/mol. Its IUPAC name is [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
PubChem CID8992770
Molecular FormulaC24H32N3O2+
Molecular Weight394.54 g/mol
Exact Mass394.25
IUPAC Name[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
SMILESCCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3=O)cc2)C(C)C)cc1
InChIInChI=1S/C24H31N3O2/c1-4-18-7-9-19(10-8-18)24(17(2)3)25-16-22(28)26-20-11-13-21(14-12-20)27-15-5-6-23(27)29/h7-14,17,24-25H,4-6,15-16H2,1-3H3,(H,26,28)/p+1/t24-/m1/s1
InChIKeyVDEQQYKIIHCDDS-XMMPIXPASA-O
XLogP3.28
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium with MolForge

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992030
[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8695493
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-ethylphenyl)propanoate
CID 8925181
4-(2-oxopyrrolidin-1-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657710
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
2-ethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687285
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27697648
2-(4-fluorophenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687249

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?
The IUPAC name of [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium (CID 8992770) is [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?
The canonical SMILES for [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium is CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3=O)cc2)C(C)C)cc1.
What is the InChIKey of [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?
The InChIKey is VDEQQYKIIHCDDS-XMMPIXPASA-O. The full InChI is InChI=1S/C24H31N3O2/c1-4-18-7-9-19(10-8-18)24(17(2)3)25-16-22(28)26-20-11-13-21(14-12-20)27-15-5-6-23(27)29/h7-14,17,24-25H,4-6,15-16H2,1-3H3,(H,26,28)/p+1/t24-/m1/s1.
What are the key properties of [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium has a molecular weight of 394.54 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium is sourced from PubChem (CID 8992770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).