N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide

C16H32N2O2 — CID 169251698

IUPACN-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide
SMILESCOCCC1CCN(CC(NC(=O)C(C)C)C(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)15(17-16(19)13(3)4)11-18-8-6-14(10-18)7-9-20-5/h12-15H,6-11H2,1-5H3,(H,17,19)
InChIKeyGGGNFJLYCDFLKV-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.14
Rot. Bonds8

About N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide

N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide (PubChem CID 169251698) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide
PubChem CID169251698
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide
SMILESCOCCC1CCN(CC(NC(=O)C(C)C)C(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)15(17-16(19)13(3)4)11-18-8-6-14(10-18)7-9-20-5/h12-15H,6-11H2,1-5H3,(H,17,19)
InChIKeyGGGNFJLYCDFLKV-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide (CID 169251698) is N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide is COCCC1CCN(CC(NC(=O)C(C)C)C(C)C)C1.
What is the InChIKey of N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide?
The InChIKey is GGGNFJLYCDFLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)15(17-16(19)13(3)4)11-18-8-6-14(10-18)7-9-20-5/h12-15H,6-11H2,1-5H3,(H,17,19).
What are the key properties of N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide?
N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide has a molecular weight of 284.44 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 169251698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).