2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide

C13H26N2O2 — CID 3071445

IUPAC2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide
SMILESCCC(C)C(CC)C(=O)NCN1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-4-11(3)12(5-2)13(16)14-10-15-6-8-17-9-7-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyMRJWCQCVEVGALU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.46
Rot. Bonds6

About 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide

2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide (PubChem CID 3071445) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide
PubChem CID3071445
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide
SMILESCCC(C)C(CC)C(=O)NCN1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-4-11(3)12(5-2)13(16)14-10-15-6-8-17-9-7-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyMRJWCQCVEVGALU-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide?
The IUPAC name of 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide (CID 3071445) is 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide.
What is the SMILES notation for 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide?
The canonical SMILES for 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide is CCC(C)C(CC)C(=O)NCN1CCOCC1.
What is the InChIKey of 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide?
The InChIKey is MRJWCQCVEVGALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11(3)12(5-2)13(16)14-10-15-6-8-17-9-7-15/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide?
2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide is sourced from PubChem (CID 3071445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).