N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide

C14H28N2O2 — CID 114113787

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCOCC(NC(=O)C1(CC)CCNC1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-5-14(7-8-15-10-14)13(17)16-12(11(3)4)9-18-6-2/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyFYPIDDPLJXMFOC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.55
Rot. Bonds7

About N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide

N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 114113787) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID114113787
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCOCC(NC(=O)C1(CC)CCNC1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-5-14(7-8-15-10-14)13(17)16-12(11(3)4)9-18-6-2/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyFYPIDDPLJXMFOC-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide (CID 114113787) is N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide is CCOCC(NC(=O)C1(CC)CCNC1)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is FYPIDDPLJXMFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-14(7-8-15-10-14)13(17)16-12(11(3)4)9-18-6-2/h11-12,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide?
N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114113787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).