2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide

C13H27N3O2 — CID 112703701

IUPAC2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide
SMILESCCN(CC)C(=O)CNC(=O)C(CC)(CC)CN
InChIInChI=1S/C13H27N3O2/c1-5-13(6-2,10-14)12(18)15-9-11(17)16(7-3)8-4/h5-10,14H2,1-4H3,(H,15,18)
InChIKeyQBHBEMNSLOMVPI-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.74
Rot. Bonds8

About 2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide

2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide (PubChem CID 112703701) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide
PubChem CID112703701
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide
SMILESCCN(CC)C(=O)CNC(=O)C(CC)(CC)CN
InChIInChI=1S/C13H27N3O2/c1-5-13(6-2,10-14)12(18)15-9-11(17)16(7-3)8-4/h5-10,14H2,1-4H3,(H,15,18)
InChIKeyQBHBEMNSLOMVPI-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide (CID 112703701) is 2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide is CCN(CC)C(=O)CNC(=O)C(CC)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide?
The InChIKey is QBHBEMNSLOMVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-13(6-2,10-14)12(18)15-9-11(17)16(7-3)8-4/h5-10,14H2,1-4H3,(H,15,18).
What are the key properties of 2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide?
2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide is sourced from PubChem (CID 112703701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).