2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide

C18H36N2O4 — CID 155444678

IUPAC2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide
SMILESCC(=O)C(C)(C)COCC(C)(C)CNC(=O)COCCC(C)(C)N
InChIInChI=1S/C18H36N2O4/c1-14(21)17(4,5)13-24-12-16(2,3)11-20-15(22)10-23-9-8-18(6,7)19/h8-13,19H2,1-7H3,(H,20,22)
InChIKeyIGKVQRJKHWBJED-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.90
Rot. Bonds12

About 2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide

2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide (PubChem CID 155444678) has the molecular formula C18H36N2O4 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide
PubChem CID155444678
Molecular FormulaC18H36N2O4
Molecular Weight344.50 g/mol
Exact Mass344.27
IUPAC Name2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide
SMILESCC(=O)C(C)(C)COCC(C)(C)CNC(=O)COCCC(C)(C)N
InChIInChI=1S/C18H36N2O4/c1-14(21)17(4,5)13-24-12-16(2,3)11-20-15(22)10-23-9-8-18(6,7)19/h8-13,19H2,1-7H3,(H,20,22)
InChIKeyIGKVQRJKHWBJED-UHFFFAOYSA-N
XLogP1.90
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide?
The IUPAC name of 2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide (CID 155444678) is 2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide.
What is the SMILES notation for 2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide?
The canonical SMILES for 2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide is CC(=O)C(C)(C)COCC(C)(C)CNC(=O)COCCC(C)(C)N.
What is the InChIKey of 2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide?
The InChIKey is IGKVQRJKHWBJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4/c1-14(21)17(4,5)13-24-12-16(2,3)11-20-15(22)10-23-9-8-18(6,7)19/h8-13,19H2,1-7H3,(H,20,22).
What are the key properties of 2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide?
2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 1.90, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide is sourced from PubChem (CID 155444678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).