2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide

C20H28N2O — CID 35564106

IUPAC2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide
SMILESO=C(CN1CCC[C@@H]1Cc1ccccc1)NC(C1CC1)C1CC1
InChIInChI=1S/C20H28N2O/c23-19(21-20(16-8-9-16)17-10-11-17)14-22-12-4-7-18(22)13-15-5-2-1-3-6-15/h1-3,5-6,16-18,20H,4,7-14H2,(H,21,23)/t18-/m1/s1
InChIKeyBNVGZAVTFDCRQC-GOSISDBHSA-N
MW312.46 g/mol
LogP3.00
Rot. Bonds7

About 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide

2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide (PubChem CID 35564106) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide
PubChem CID35564106
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide
SMILESO=C(CN1CCC[C@@H]1Cc1ccccc1)NC(C1CC1)C1CC1
InChIInChI=1S/C20H28N2O/c23-19(21-20(16-8-9-16)17-10-11-17)14-22-12-4-7-18(22)13-15-5-2-1-3-6-15/h1-3,5-6,16-18,20H,4,7-14H2,(H,21,23)/t18-/m1/s1
InChIKeyBNVGZAVTFDCRQC-GOSISDBHSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide?
The IUPAC name of 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide (CID 35564106) is 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide is O=C(CN1CCC[C@@H]1Cc1ccccc1)NC(C1CC1)C1CC1.
What is the InChIKey of 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide?
The InChIKey is BNVGZAVTFDCRQC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N2O/c23-19(21-20(16-8-9-16)17-10-11-17)14-22-12-4-7-18(22)13-15-5-2-1-3-6-15/h1-3,5-6,16-18,20H,4,7-14H2,(H,21,23)/t18-/m1/s1.
What are the key properties of 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide?
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide has a molecular weight of 312.46 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide is sourced from PubChem (CID 35564106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).