N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide

C14H30N2O2 — CID 138480751

IUPACN-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NCC(C)(C)CC(C)(C)CN
InChIInChI=1S/C14H30N2O2/c1-6-18-8-7-12(17)16-11-14(4,5)9-13(2,3)10-15/h6-11,15H2,1-5H3,(H,16,17)
InChIKeyWSINUMNXLOMUHB-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.93
Rot. Bonds9

About N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide

N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide (PubChem CID 138480751) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide
PubChem CID138480751
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NCC(C)(C)CC(C)(C)CN
InChIInChI=1S/C14H30N2O2/c1-6-18-8-7-12(17)16-11-14(4,5)9-13(2,3)10-15/h6-11,15H2,1-5H3,(H,16,17)
InChIKeyWSINUMNXLOMUHB-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide?
The IUPAC name of N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide (CID 138480751) is N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide?
The canonical SMILES for N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide is CCOCCC(=O)NCC(C)(C)CC(C)(C)CN.
What is the InChIKey of N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide?
The InChIKey is WSINUMNXLOMUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-6-18-8-7-12(17)16-11-14(4,5)9-13(2,3)10-15/h6-11,15H2,1-5H3,(H,16,17).
What are the key properties of N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide?
N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide has a molecular weight of 258.41 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2,4,4-tetramethylpentyl)-3-ethoxypropanamide is sourced from PubChem (CID 138480751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).