CID 161387675

C18H28NOPY — CID 161387675

IUPAC—
SMILESCC[P+]1(CC(=O)Nc2c(C)cccc2C)[CH-]CCCCC1.[Y]
InChIInChI=1S/C18H28NOP.Y/c1-4-21(12-7-5-6-8-13-21)14-17(20)19-18-15(2)10-9-11-16(18)3;/h9-12H,4-8,13-14H2,1-3H3,(H,19,20);
InChIKeyYKNLCZICLTVIPY-UHFFFAOYSA-N
MW394.31 g/mol
LogP5.01
Rot. Bonds4

About CID 161387675

CID 161387675 (PubChem CID 161387675) has the molecular formula C18H28NOPY and a molecular weight of 394.31 g/mol.

Molecular Properties

Compound NameCID 161387675
PubChem CID161387675
Molecular FormulaC18H28NOPY
Molecular Weight394.31 g/mol
Exact Mass394.10
IUPAC Name—
SMILESCC[P+]1(CC(=O)Nc2c(C)cccc2C)[CH-]CCCCC1.[Y]
InChIInChI=1S/C18H28NOP.Y/c1-4-21(12-7-5-6-8-13-21)14-17(20)19-18-15(2)10-9-11-16(18)3;/h9-12H,4-8,13-14H2,1-3H3,(H,19,20);
InChIKeyYKNLCZICLTVIPY-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.31
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium
CID 161486197
N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide
CID 159859774
2-(1-ethylphosphepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 157122609
2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium
CID 159170145
cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9265308
cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 2394747
bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
CID 24832929
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17424471
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418

Frequently Asked Questions

What is the IUPAC name of CID 161387675?
The IUPAC name of CID 161387675 (CID 161387675) is not available.
What is the SMILES notation for CID 161387675?
The canonical SMILES for CID 161387675 is CC[P+]1(CC(=O)Nc2c(C)cccc2C)[CH-]CCCCC1.[Y].
What is the InChIKey of CID 161387675?
The InChIKey is YKNLCZICLTVIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28NOP.Y/c1-4-21(12-7-5-6-8-13-21)14-17(20)19-18-15(2)10-9-11-16(18)3;/h9-12H,4-8,13-14H2,1-3H3,(H,19,20);.
What are the key properties of CID 161387675?
CID 161387675 has a molecular weight of 394.31 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161387675 is sourced from PubChem (CID 161387675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).