N-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide

C14H29NO2 — CID 146259352

IUPACN-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide
SMILESCCOCCC(C)(CC)NC(=O)CC(C)CC
InChIInChI=1S/C14H29NO2/c1-6-12(4)11-13(16)15-14(5,7-2)9-10-17-8-3/h12H,6-11H2,1-5H3,(H,15,16)
InChIKeyQPMVPIFMLUIMER-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.13
Rot. Bonds9

About N-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide

N-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide (PubChem CID 146259352) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide
PubChem CID146259352
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide
SMILESCCOCCC(C)(CC)NC(=O)CC(C)CC
InChIInChI=1S/C14H29NO2/c1-6-12(4)11-13(16)15-14(5,7-2)9-10-17-8-3/h12H,6-11H2,1-5H3,(H,15,16)
InChIKeyQPMVPIFMLUIMER-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide?
The IUPAC name of N-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide (CID 146259352) is N-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide.
What is the SMILES notation for N-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide?
The canonical SMILES for N-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide is CCOCCC(C)(CC)NC(=O)CC(C)CC.
What is the InChIKey of N-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide?
The InChIKey is QPMVPIFMLUIMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-12(4)11-13(16)15-14(5,7-2)9-10-17-8-3/h12H,6-11H2,1-5H3,(H,15,16).
What are the key properties of N-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide?
N-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide has a molecular weight of 243.39 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylpentan-3-yl)-3-methylpentanamide is sourced from PubChem (CID 146259352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).