N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide

C12H23NO5 — CID 167960646

IUPACN-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide
SMILESCCOCCOCCNC(=O)C1(O)CCOCC1
InChIInChI=1S/C12H23NO5/c1-2-16-9-10-18-8-5-13-11(14)12(15)3-6-17-7-4-12/h15H,2-10H2,1H3,(H,13,14)
InChIKeyAOSMETHCOWZOHQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.30
Rot. Bonds8

About N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide

N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide (PubChem CID 167960646) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide
PubChem CID167960646
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC NameN-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide
SMILESCCOCCOCCNC(=O)C1(O)CCOCC1
InChIInChI=1S/C12H23NO5/c1-2-16-9-10-18-8-5-13-11(14)12(15)3-6-17-7-4-12/h15H,2-10H2,1H3,(H,13,14)
InChIKeyAOSMETHCOWZOHQ-UHFFFAOYSA-N
XLogP-0.30
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096609
N-(3-ethoxypropyl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920265
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
N-(2-ethoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 51092273
4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide
CID 66249824
2-(2-ethoxyethoxy)ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate
CID 58779972
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide
CID 106235075
2-amino-N-(2-ethoxyethyl)-1-methylcyclopentane-1-carboxamide
CID 82764809
N-ethyl-1-hydroxycyclopentane-1-carboxamide
CID 131085818
N-(2-ethoxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620372
1,2-diethoxyethane;oxirane
CID 159897663

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide?
The IUPAC name of N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide (CID 167960646) is N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide.
What is the SMILES notation for N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide?
The canonical SMILES for N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide is CCOCCOCCNC(=O)C1(O)CCOCC1.
What is the InChIKey of N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide?
The InChIKey is AOSMETHCOWZOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-2-16-9-10-18-8-5-13-11(14)12(15)3-6-17-7-4-12/h15H,2-10H2,1H3,(H,13,14).
What are the key properties of N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide?
N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide has a molecular weight of 261.32 g/mol, XLogP of -0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 167960646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).