(1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate

C18H32N4O5 — CID 162217817

IUPAC(1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate
SMILESCCCCn1cc(COC(=O)CCC(C)C(=O)NCCOCCOC)nn1
InChIInChI=1S/C18H32N4O5/c1-4-5-9-22-13-16(20-21-22)14-27-17(23)7-6-15(2)18(24)19-8-10-26-12-11-25-3/h13,15H,4-12,14H2,1-3H3,(H,19,24)
InChIKeyYFKUWZKYTAJOCT-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.32
Rot. Bonds15

About (1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate

(1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate (PubChem CID 162217817) has the molecular formula C18H32N4O5 and a molecular weight of 384.48 g/mol. Its IUPAC name is (1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate.

Molecular Properties

Compound Name(1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate
PubChem CID162217817
Molecular FormulaC18H32N4O5
Molecular Weight384.48 g/mol
Exact Mass384.24
IUPAC Name(1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate
SMILESCCCCn1cc(COC(=O)CCC(C)C(=O)NCCOCCOC)nn1
InChIInChI=1S/C18H32N4O5/c1-4-5-9-22-13-16(20-21-22)14-27-17(23)7-6-15(2)18(24)19-8-10-26-12-11-25-3/h13,15H,4-12,14H2,1-3H3,(H,19,24)
InChIKeyYFKUWZKYTAJOCT-UHFFFAOYSA-N
XLogP1.32
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate?
The IUPAC name of (1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate (CID 162217817) is (1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate.
What is the SMILES notation for (1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate?
The canonical SMILES for (1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate is CCCCn1cc(COC(=O)CCC(C)C(=O)NCCOCCOC)nn1.
What is the InChIKey of (1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate?
The InChIKey is YFKUWZKYTAJOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O5/c1-4-5-9-22-13-16(20-21-22)14-27-17(23)7-6-15(2)18(24)19-8-10-26-12-11-25-3/h13,15H,4-12,14H2,1-3H3,(H,19,24).
What are the key properties of (1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate?
(1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate has a molecular weight of 384.48 g/mol, XLogP of 1.32, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate is sourced from PubChem (CID 162217817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).