sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate

C22H42NNaO5 — CID 102228653

IUPACsodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate
SMILESCCCCCCCCCCCCCCC/C([O-])=N/CCOCCOCC(=O)O.[Na+]
InChIInChI=1S/C22H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)23-16-17-27-18-19-28-20-22(25)26;/h2-20H2,1H3,(H,23,24)(H,25,26);/q;+1/p-1
InChIKeyHJIXJTDUQGWHNV-UHFFFAOYSA-M
MW423.57 g/mol
LogP1.35
Rot. Bonds22

About sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate

sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate (PubChem CID 102228653) has the molecular formula C22H42NNaO5 and a molecular weight of 423.57 g/mol. Its IUPAC name is sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate.

Molecular Properties

Compound Namesodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate
PubChem CID102228653
Molecular FormulaC22H42NNaO5
Molecular Weight423.57 g/mol
Exact Mass423.30
IUPAC Namesodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate
SMILESCCCCCCCCCCCCCCC/C([O-])=N/CCOCCOCC(=O)O.[Na+]
InChIInChI=1S/C22H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)23-16-17-27-18-19-28-20-22(25)26;/h2-20H2,1H3,(H,23,24)(H,25,26);/q;+1/p-1
InChIKeyHJIXJTDUQGWHNV-UHFFFAOYSA-M
XLogP1.35
TPSA91.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.57
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129
potassium N-(carboxymethyl)decanimidate
CID 101144214
sodium;2-decoxyacetic acid;hydride
CID 173154900
sodium;2-dodecoxyacetic acid;hydride
CID 173155180
2-octadecoxyacetic acid
CID 4147678
2-pentadecoxyacetic acid
CID 19866534
2-nonadecoxyacetic acid
CID 91373626
2-(3-pentoxypropoxy)acetic acid
CID 87690059
sodium 2-(2-hexadecoxyethoxy)acetate
CID 23688956

Frequently Asked Questions

What is the IUPAC name of sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate?
The IUPAC name of sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate (CID 102228653) is sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate.
What is the SMILES notation for sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate?
The canonical SMILES for sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate is CCCCCCCCCCCCCCC/C([O-])=N/CCOCCOCC(=O)O.[Na+].
What is the InChIKey of sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate?
The InChIKey is HJIXJTDUQGWHNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)23-16-17-27-18-19-28-20-22(25)26;/h2-20H2,1H3,(H,23,24)(H,25,26);/q;+1/p-1.
What are the key properties of sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate?
sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate has a molecular weight of 423.57 g/mol, XLogP of 1.35, 22 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-[2-[2-(carboxymethoxy)ethoxy]ethyl]hexadecanimidate is sourced from PubChem (CID 102228653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).