hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate

C16H28N2O5 — CID 6422720

IUPAChexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCCCCC
InChIInChI=1S/C16H28N2O5/c1-5-7-8-9-11-22-15(20)13-17(3)14(19)12-18(4)16(21)23-10-6-2/h6H,2,5,7-13H2,1,3-4H3
InChIKeyOTZUZWCGUXMRTP-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.82
Rot. Bonds11

About hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate

hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 6422720) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namehexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID6422720
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Namehexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCCCCC
InChIInChI=1S/C16H28N2O5/c1-5-7-8-9-11-22-15(20)13-17(3)14(19)12-18(4)16(21)23-10-6-2/h6H,2,5,7-13H2,1,3-4H3
InChIKeyOTZUZWCGUXMRTP-UHFFFAOYSA-N
XLogP1.82
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Glycine, N-methyl-N-allyloxycarbonyl-, pentyl ester
CID 91713124
Glycine, N-methyl-N-allyloxycarbonyl-, hexyl ester
CID 91713126
Glycine, N-methyl-N-allyloxycarbonyl-, heptyl ester
CID 91713127
Glycine, N-methyl-N-allyloxycarbonyl-, octyl ester
CID 91713128
Glycine, N-methyl-N-allyloxycarbonyl-, nonyl ester
CID 91713129
Glycine, N-methyl-N-allyloxycarbonyl-, decyl ester
CID 91713130
Glycine, N-methyl-N-allyloxycarbonyl-, undecyl ester
CID 91713159
Glycine, N-methyl-N-allyloxycarbonyl-, dodecyl ester
CID 91713160
Glycine, N-methyl-N-allyloxycarbonyl-, tetradecyl ester
CID 91713161
Glycine, N-methyl-N-allyloxycarbonyl-, hexadecyl ester
CID 91713162
Glycine, N-methyl-N-allyloxycarbonyl-, heptadecyl ester
CID 91713163
Glycine, N-methyl-N-allyloxycarbonyl-, octadecyl ester
CID 91713164

Frequently Asked Questions

What is the IUPAC name of hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate (CID 6422720) is hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate is C=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCCCCC.
What is the InChIKey of hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is OTZUZWCGUXMRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-5-7-8-9-11-22-15(20)13-17(3)14(19)12-18(4)16(21)23-10-6-2/h6H,2,5,7-13H2,1,3-4H3.
What are the key properties of hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 328.41 g/mol, XLogP of 1.82, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 6422720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).