N-(3-ethoxypropyl)pentanamide

C10H21NO2 — CID 5153637

IUPACN-(3-ethoxypropyl)pentanamide
SMILESCCCCC(=O)NCCCOCC
InChIInChI=1S/C10H21NO2/c1-3-5-7-10(12)11-8-6-9-13-4-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyYBYBWQMDDRBFKU-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds8

About N-(3-ethoxypropyl)pentanamide

N-(3-ethoxypropyl)pentanamide (PubChem CID 5153637) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(3-ethoxypropyl)pentanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)pentanamide
PubChem CID5153637
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(3-ethoxypropyl)pentanamide
SMILESCCCCC(=O)NCCCOCC
InChIInChI=1S/C10H21NO2/c1-3-5-7-10(12)11-8-6-9-13-4-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyYBYBWQMDDRBFKU-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
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-(3-ethoxypropyl)pentanamide?
The IUPAC name of N-(3-ethoxypropyl)pentanamide (CID 5153637) is N-(3-ethoxypropyl)pentanamide.
What is the SMILES notation for N-(3-ethoxypropyl)pentanamide?
The canonical SMILES for N-(3-ethoxypropyl)pentanamide is CCCCC(=O)NCCCOCC.
What is the InChIKey of N-(3-ethoxypropyl)pentanamide?
The InChIKey is YBYBWQMDDRBFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-7-10(12)11-8-6-9-13-4-2/h3-9H2,1-2H3,(H,11,12).
What are the key properties of N-(3-ethoxypropyl)pentanamide?
N-(3-ethoxypropyl)pentanamide has a molecular weight of 187.28 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)pentanamide is sourced from PubChem (CID 5153637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).