potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate

C15H20KNO3 — CID 23672129

IUPACpotassium 2-ethyl-2-(phenylcarbamoyl)hexanoate
SMILESCCCCC(CC)(C(=O)[O-])C(=O)Nc1ccccc1.[K+]
InChIInChI=1S/C15H21NO3.K/c1-3-5-11-15(4-2,14(18)19)13(17)16-12-9-7-6-8-10-12;/h6-10H,3-5,11H2,1-2H3,(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyQOXIZMQDQVMBDU-UHFFFAOYSA-M
MW301.43 g/mol
LogP-1.03
Rot. Bonds7

About potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate

potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate (PubChem CID 23672129) has the molecular formula C15H20KNO3 and a molecular weight of 301.43 g/mol. Its IUPAC name is potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate.

Molecular Properties

Compound Namepotassium 2-ethyl-2-(phenylcarbamoyl)hexanoate
PubChem CID23672129
Molecular FormulaC15H20KNO3
Molecular Weight301.43 g/mol
Exact Mass301.11
IUPAC Namepotassium 2-ethyl-2-(phenylcarbamoyl)hexanoate
SMILESCCCCC(CC)(C(=O)[O-])C(=O)Nc1ccccc1.[K+]
InChIInChI=1S/C15H21NO3.K/c1-3-5-11-15(4-2,14(18)19)13(17)16-12-9-7-6-8-10-12;/h6-10H,3-5,11H2,1-2H3,(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyQOXIZMQDQVMBDU-UHFFFAOYSA-M
XLogP-1.03
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-butyl-2-ethyl-N,N'-diphenylpropanediamide
CID 170847638
2-amino-2-methyl-N-phenylhexanamide
CID 170712188
2,2-dibromo-N-phenylnonanamide
CID 59766487
dipotassium;2-butyl-2-phenylpropanedioate
CID 139411291
2-methyl-N-phenyl-2-trimethylsilylheptanamide
CID 10334484
calcium 2-benzyl-2-ethylpropanedioate
CID 153423943
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
CID 14812883
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
lithium;potassium;2-benzyl-2-ethylpropanedioate
CID 139411441
1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide
CID 134124725
2-acetyl-N-phenyl-2-propan-2-ylheptanamide
CID 24972977
dilithium;2-butyl-2-phenylpropanedioate
CID 139411834

Frequently Asked Questions

What is the IUPAC name of potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate?
The IUPAC name of potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate (CID 23672129) is potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate.
What is the SMILES notation for potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate?
The canonical SMILES for potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate is CCCCC(CC)(C(=O)[O-])C(=O)Nc1ccccc1.[K+].
What is the InChIKey of potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate?
The InChIKey is QOXIZMQDQVMBDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21NO3.K/c1-3-5-11-15(4-2,14(18)19)13(17)16-12-9-7-6-8-10-12;/h6-10H,3-5,11H2,1-2H3,(H,16,17)(H,18,19);/q;+1/p-1.
What are the key properties of potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate?
potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate has a molecular weight of 301.43 g/mol, XLogP of -1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate is sourced from PubChem (CID 23672129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).