N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide

C20H27N3O2 — CID 135094368

IUPACN,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1
InChIInChI=1S/C20H27N3O2/c1-3-23(4-2)20(25)14-22-12-16(19(24)13-22)11-17-10-9-15-7-5-6-8-18(15)21-17/h5-10,16,19,24H,3-4,11-14H2,1-2H3/t16-,19-/m1/s1
InChIKeyVYRFWMBJWCTZGC-VQIMIIECSA-N
MW341.45 g/mol
LogP1.94
Rot. Bonds6

About N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide

N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 135094368) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID135094368
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1
InChIInChI=1S/C20H27N3O2/c1-3-23(4-2)20(25)14-22-12-16(19(24)13-22)11-17-10-9-15-7-5-6-8-18(15)21-17/h5-10,16,19,24H,3-4,11-14H2,1-2H3/t16-,19-/m1/s1
InChIKeyVYRFWMBJWCTZGC-VQIMIIECSA-N
XLogP1.94
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide (CID 135094368) is N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide is CCN(CC)C(=O)CN1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1.
What is the InChIKey of N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is VYRFWMBJWCTZGC-VQIMIIECSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-23(4-2)20(25)14-22-12-16(19(24)13-22)11-17-10-9-15-7-5-6-8-18(15)21-17/h5-10,16,19,24H,3-4,11-14H2,1-2H3/t16-,19-/m1/s1.
What are the key properties of N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide?
N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 341.45 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 135094368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).