[(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone

C20H23NO3 — CID 14068808

IUPAC[(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
SMILESCOCOC[C@@H]1CCCN1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H23NO3/c1-23-15-24-14-17-10-7-13-21(17)20(22)19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3/t17-/m0/s1
InChIKeyJNZFUDDEKKSEER-KRWDZBQOSA-N
MW325.41 g/mol
LogP3.58
Rot. Bonds6

About [(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone

[(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 14068808) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
PubChem CID14068808
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
SMILESCOCOC[C@@H]1CCCN1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H23NO3/c1-23-15-24-14-17-10-7-13-21(17)20(22)19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3/t17-/m0/s1
InChIKeyJNZFUDDEKKSEER-KRWDZBQOSA-N
XLogP3.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 10135575
[2-(2-phenoxyethyl)azepan-1-yl]-(2-phenylphenyl)methanone
CID 10179058
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
CID 129394028
[2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 10136736
(2-methoxyphenyl)-[(2R)-2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 59949488
(2-methoxyphenyl)-[2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 20623537
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methylsulfanylphenyl)phenyl]methanone
CID 118779278
[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 118794181
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone (CID 14068808) is [(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone is COCOC[C@@H]1CCCN1C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of [(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is JNZFUDDEKKSEER-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-15-24-14-17-10-7-13-21(17)20(22)19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3/t17-/m0/s1.
What are the key properties of [(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone?
[(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 14068808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).