ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate

C18H34N2O4 — CID 56805059

IUPACethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate
SMILESCCCCCCC(C)(NCC(=O)NC1CCOCC1)C(=O)OCC
InChIInChI=1S/C18H34N2O4/c1-4-6-7-8-11-18(3,17(22)24-5-2)19-14-16(21)20-15-9-12-23-13-10-15/h15,19H,4-14H2,1-3H3,(H,20,21)
InChIKeyNAQOUYXGZSDIIH-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.16
Rot. Bonds11

About ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate

ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate (PubChem CID 56805059) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate
PubChem CID56805059
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Nameethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate
SMILESCCCCCCC(C)(NCC(=O)NC1CCOCC1)C(=O)OCC
InChIInChI=1S/C18H34N2O4/c1-4-6-7-8-11-18(3,17(22)24-5-2)19-14-16(21)20-15-9-12-23-13-10-15/h15,19H,4-14H2,1-3H3,(H,20,21)
InChIKeyNAQOUYXGZSDIIH-UHFFFAOYSA-N
XLogP2.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.16
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

ethyl 2-methyl-2-(oxolan-2-ylmethylamino)heptanoate
CID 80557990
ethyl 2-methyl-2-(prop-2-enylamino)octanoate
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CID 107755513
3-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 64684396
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide
CID 114009193
ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate
CID 102607567
methyl 2-(cyclopropylmethylamino)-2-methylnonanoate
CID 54894023
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide
CID 114119327
2-amino-2-methyl-N-(oxan-4-yl)butanamide
CID 79797444
ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
CID 11817243
ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
CID 82743485

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate?
The IUPAC name of ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate (CID 56805059) is ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate.
What is the SMILES notation for ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate?
The canonical SMILES for ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate is CCCCCCC(C)(NCC(=O)NC1CCOCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate?
The InChIKey is NAQOUYXGZSDIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-4-6-7-8-11-18(3,17(22)24-5-2)19-14-16(21)20-15-9-12-23-13-10-15/h15,19H,4-14H2,1-3H3,(H,20,21).
What are the key properties of ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate?
ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate has a molecular weight of 342.48 g/mol, XLogP of 2.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[[2-(oxan-4-ylamino)-2-oxoethyl]amino]octanoate is sourced from PubChem (CID 56805059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).