N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide

C15H29N3O — CID 62273739

IUPACN-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCCC1C1CCCN1
InChIInChI=1S/C15H29N3O/c1-4-15(2,3)17-14(19)11-18-10-6-8-13(18)12-7-5-9-16-12/h12-13,16H,4-11H2,1-3H3,(H,17,19)
InChIKeyBPVFHKGURRWNIV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.51
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide

N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide (PubChem CID 62273739) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
PubChem CID62273739
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCCC1C1CCCN1
InChIInChI=1S/C15H29N3O/c1-4-15(2,3)17-14(19)11-18-10-6-8-13(18)12-7-5-9-16-12/h12-13,16H,4-11H2,1-3H3,(H,17,19)
InChIKeyBPVFHKGURRWNIV-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide (CID 62273739) is N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide is CCC(C)(C)NC(=O)CN1CCCC1C1CCCN1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide?
The InChIKey is BPVFHKGURRWNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-15(2,3)17-14(19)11-18-10-6-8-13(18)12-7-5-9-16-12/h12-13,16H,4-11H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide?
N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 62273739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).