3-ethoxy-N-methylpentanamide

C8H17NO2 — CID 123953806

IUPAC3-ethoxy-N-methylpentanamide
SMILESCCOC(CC)CC(=O)NC
InChIInChI=1S/C8H17NO2/c1-4-7(11-5-2)6-8(10)9-3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyRETUROPVCAVQMG-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds5

About 3-ethoxy-N-methylpentanamide

3-ethoxy-N-methylpentanamide (PubChem CID 123953806) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-ethoxy-N-methylpentanamide.

Molecular Properties

Compound Name3-ethoxy-N-methylpentanamide
PubChem CID123953806
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-ethoxy-N-methylpentanamide
SMILESCCOC(CC)CC(=O)NC
InChIInChI=1S/C8H17NO2/c1-4-7(11-5-2)6-8(10)9-3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyRETUROPVCAVQMG-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-propan-2-yloxyhexanamide
CID 123688714
ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen
CID 170582963
3-ethoxypentanethioamide
CID 43175214
(2S)-2-ethoxybutan-1-ol
CID 89167253
2-ethoxybutyl ethyl carbonate
CID 87247683
N-methyl-4-oxo-3-sulfanylpentanamide
CID 130374131
N,5-dimethyl-3-propan-2-yloxyhex-5-enamide
CID 177048513
3-hydroxy-N-methyl-3-pentoxypropanamide
CID 87180448
3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid
CID 114227468
(2S)-2-ethoxy-1-fluorobutane
CID 153031370
3-ethoxypentyl hydrogen carbonate
CID 139923320
ethane;3-ethyl-N,5-dimethylhexanamide
CID 177048526

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methylpentanamide?
The IUPAC name of 3-ethoxy-N-methylpentanamide (CID 123953806) is 3-ethoxy-N-methylpentanamide.
What is the SMILES notation for 3-ethoxy-N-methylpentanamide?
The canonical SMILES for 3-ethoxy-N-methylpentanamide is CCOC(CC)CC(=O)NC.
What is the InChIKey of 3-ethoxy-N-methylpentanamide?
The InChIKey is RETUROPVCAVQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(11-5-2)6-8(10)9-3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of 3-ethoxy-N-methylpentanamide?
3-ethoxy-N-methylpentanamide has a molecular weight of 159.23 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methylpentanamide is sourced from PubChem (CID 123953806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).