cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium

C18H29N2O+ — CID 8875930

IUPACcyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
SMILESCC(C)c1ccc(NC(=O)C[N+](C)(C)C2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)15-9-11-16(12-10-15)19-18(21)13-20(3,4)17-7-5-6-8-17/h9-12,14,17H,5-8,13H2,1-4H3/p+1
InChIKeyPOJCRNULKUOWLA-UHFFFAOYSA-O
MW289.44 g/mol
LogP3.77
Rot. Bonds5

About cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium

cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium (PubChem CID 8875930) has the molecular formula C18H29N2O+ and a molecular weight of 289.44 g/mol. Its IUPAC name is cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium.

Molecular Properties

Compound Namecyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
PubChem CID8875930
Molecular FormulaC18H29N2O+
Molecular Weight289.44 g/mol
Exact Mass289.23
IUPAC Namecyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
SMILESCC(C)c1ccc(NC(=O)C[N+](C)(C)C2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)15-9-11-16(12-10-15)19-18(21)13-20(3,4)17-7-5-6-8-17/h9-12,14,17H,5-8,13H2,1-4H3/p+1
InChIKeyPOJCRNULKUOWLA-UHFFFAOYSA-O
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8583231
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea
CID 4171224
2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113158405
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56500926
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium?
The IUPAC name of cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium (CID 8875930) is cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium.
What is the SMILES notation for cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium?
The canonical SMILES for cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium is CC(C)c1ccc(NC(=O)C[N+](C)(C)C2CCCC2)cc1.
What is the InChIKey of cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium?
The InChIKey is POJCRNULKUOWLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N2O/c1-14(2)15-9-11-16(12-10-15)19-18(21)13-20(3,4)17-7-5-6-8-17/h9-12,14,17H,5-8,13H2,1-4H3/p+1.
What are the key properties of cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium?
cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium has a molecular weight of 289.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium is sourced from PubChem (CID 8875930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).