potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate

C20H38KNO5 — CID 101279146

IUPACpotassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate
SMILESCCCCCCCCCCCCC(C)(C(=O)[O-])C(=O)N(CCO)CCO.[K+]
InChIInChI=1S/C20H39NO5.K/c1-3-4-5-6-7-8-9-10-11-12-13-20(2,19(25)26)18(24)21(14-16-22)15-17-23;/h22-23H,3-17H2,1-2H3,(H,25,26);/q;+1/p-1
InChIKeyBKMRLTRUNKTSSP-UHFFFAOYSA-M
MW411.62 g/mol
LogP-1.13
Rot. Bonds17

About potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate

potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate (PubChem CID 101279146) has the molecular formula C20H38KNO5 and a molecular weight of 411.62 g/mol. Its IUPAC name is potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate.

Molecular Properties

Compound Namepotassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate
PubChem CID101279146
Molecular FormulaC20H38KNO5
Molecular Weight411.62 g/mol
Exact Mass411.24
IUPAC Namepotassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate
SMILESCCCCCCCCCCCCC(C)(C(=O)[O-])C(=O)N(CCO)CCO.[K+]
InChIInChI=1S/C20H39NO5.K/c1-3-4-5-6-7-8-9-10-11-12-13-20(2,19(25)26)18(24)21(14-16-22)15-17-23;/h22-23H,3-17H2,1-2H3,(H,25,26);/q;+1/p-1
InChIKeyBKMRLTRUNKTSSP-UHFFFAOYSA-M
XLogP-1.13
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bis(2-hydroxyethyl)carbamoyl]-2-methylhexadecanoic acid
CID 101279151
N-(2-hydroxyethyl)-2,2-dimethyl-N-pentylpropanamide
CID 59440869
2-(diethylcarbamoyl)-2-methylpentadecanoic acid
CID 101279101
3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 113307587
2-hexyl-2-methylpentadecanoate
CID 57350898
dipotassium;2-dodecyl-2-hexylpropanedioate
CID 139411593
potassium;sodium;2,2-di(undecyl)propanedioate
CID 139411364
bis(2,2-dimethyloctanoate);tin(2+) dihydride
CID 173040991
2,2-dimethyl-N,N-di(nonyl)propanamide
CID 532840
potassium;sodium;2-dodecyl-2-pentylpropanedioate
CID 139412069
2-heptyl-2-methylpropanedioic acid
CID 89147986
dipotassium;2,2-dipentylpropanedioate
CID 139411547

Frequently Asked Questions

What is the IUPAC name of potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate?
The IUPAC name of potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate (CID 101279146) is potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate.
What is the SMILES notation for potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate?
The canonical SMILES for potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate is CCCCCCCCCCCCC(C)(C(=O)[O-])C(=O)N(CCO)CCO.[K+].
What is the InChIKey of potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate?
The InChIKey is BKMRLTRUNKTSSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H39NO5.K/c1-3-4-5-6-7-8-9-10-11-12-13-20(2,19(25)26)18(24)21(14-16-22)15-17-23;/h22-23H,3-17H2,1-2H3,(H,25,26);/q;+1/p-1.
What are the key properties of potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate?
potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate has a molecular weight of 411.62 g/mol, XLogP of -1.13, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate is sourced from PubChem (CID 101279146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).