(5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone

C19H28N2O2 — CID 166280436

IUPAC(5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCC1(C)CC(C(=O)N2CCC(COCc3ccccc3)C2)CN1
InChIInChI=1S/C19H28N2O2/c1-19(2)10-17(11-20-19)18(22)21-9-8-16(12-21)14-23-13-15-6-4-3-5-7-15/h3-7,16-17,20H,8-14H2,1-2H3
InChIKeyNJDNUPDWRNBODH-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.44
Rot. Bonds5

About (5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone

(5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 166280436) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID166280436
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCC1(C)CC(C(=O)N2CCC(COCc3ccccc3)C2)CN1
InChIInChI=1S/C19H28N2O2/c1-19(2)10-17(11-20-19)18(22)21-9-8-16(12-21)14-23-13-15-6-4-3-5-7-15/h3-7,16-17,20H,8-14H2,1-2H3
InChIKeyNJDNUPDWRNBODH-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239
cis-(1R,2S)-2-[(3S)-3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132640
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119336604
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119336588
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119336587
[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 124699470
5-[3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119186829
(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505242
2-amino-3-methoxy-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 120991036
N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 119139796
2-(1-hydroxycyclohexyl)-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanone
CID 111540560
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120795169

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone (CID 166280436) is (5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone is CC1(C)CC(C(=O)N2CCC(COCc3ccccc3)C2)CN1.
What is the InChIKey of (5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NJDNUPDWRNBODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2)10-17(11-20-19)18(22)21-9-8-16(12-21)14-23-13-15-6-4-3-5-7-15/h3-7,16-17,20H,8-14H2,1-2H3.
What are the key properties of (5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
(5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166280436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).