2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate

C16H31NO6 — CID 101491584

IUPAC2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate
SMILESCCCCCCN(CC(=O)OCCOC)CC(=O)OCCOC
InChIInChI=1S/C16H31NO6/c1-4-5-6-7-8-17(13-15(18)22-11-9-20-2)14-16(19)23-12-10-21-3/h4-14H2,1-3H3
InChIKeyBUWPJOFJXXUIMG-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.25
Rot. Bonds15

About 2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate

2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate (PubChem CID 101491584) has the molecular formula C16H31NO6 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate
PubChem CID101491584
Molecular FormulaC16H31NO6
Molecular Weight333.43 g/mol
Exact Mass333.22
IUPAC Name2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate
SMILESCCCCCCN(CC(=O)OCCOC)CC(=O)OCCOC
InChIInChI=1S/C16H31NO6/c1-4-5-6-7-8-17(13-15(18)22-11-9-20-2)14-16(19)23-12-10-21-3/h4-14H2,1-3H3
InChIKeyBUWPJOFJXXUIMG-UHFFFAOYSA-N
XLogP1.25
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-[dodecyl(hydroxy)amino]nonyl 2-(didecylamino)acetate
CID 171586143
ethyl 2-[ethyl(heptyl)amino]acetate
CID 55208036
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
2-methoxyethyl octanoate
CID 14009347
tetradecyl 3-[3-methoxypropyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 58566875
octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723550
butyl 3-[5-hydroxypentyl-[3-[6-[3-[5-hydroxypentyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]hexoxy]-3-oxopropyl]amino]propanoate
CID 176880609
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
4-O-(2-methoxyethyl) 1-O-tetradecyl butanedioate
CID 91694095
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate
CID 176758965
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[di(tetradecyl)amino]-4-oxobutanoate
CID 176758962
N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
CID 167224233

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate?
The IUPAC name of 2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate (CID 101491584) is 2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate.
What is the SMILES notation for 2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate?
The canonical SMILES for 2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate is CCCCCCN(CC(=O)OCCOC)CC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate?
The InChIKey is BUWPJOFJXXUIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO6/c1-4-5-6-7-8-17(13-15(18)22-11-9-20-2)14-16(19)23-12-10-21-3/h4-14H2,1-3H3.
What are the key properties of 2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate?
2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate has a molecular weight of 333.43 g/mol, XLogP of 1.25, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 101491584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).