2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide

C14H28N2O2 — CID 163411910

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide
SMILESCCCC1C[C@@H](NC(=O)COC(C)(C)C)CN1C
InChIInChI=1S/C14H28N2O2/c1-6-7-12-8-11(9-16(12)5)15-13(17)10-18-14(2,3)4/h11-12H,6-10H2,1-5H3,(H,15,17)/t11-,12?/m1/s1
InChIKeyABFAQKYQYRTCEC-JHJMLUEUSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide

2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide (PubChem CID 163411910) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide
PubChem CID163411910
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide
SMILESCCCC1C[C@@H](NC(=O)COC(C)(C)C)CN1C
InChIInChI=1S/C14H28N2O2/c1-6-7-12-8-11(9-16(12)5)15-13(17)10-18-14(2,3)4/h11-12H,6-10H2,1-5H3,(H,15,17)/t11-,12?/m1/s1
InChIKeyABFAQKYQYRTCEC-JHJMLUEUSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide (CID 163411910) is 2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide is CCCC1C[C@@H](NC(=O)COC(C)(C)C)CN1C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide?
The InChIKey is ABFAQKYQYRTCEC-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-7-12-8-11(9-16(12)5)15-13(17)10-18-14(2,3)4/h11-12H,6-10H2,1-5H3,(H,15,17)/t11-,12?/m1/s1.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-[(3R)-1-methyl-5-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 163411910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).