2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone

C14H20N2O3 — CID 70342538

IUPAC2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone
SMILESCOCO[C@H]1CCN(C(=O)CNc2ccccc2)C1
InChIInChI=1S/C14H20N2O3/c1-18-11-19-13-7-8-16(10-13)14(17)9-15-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3/t13-/m0/s1
InChIKeyBXEFSVIKELWABJ-ZDUSSCGKSA-N
MW264.32 g/mol
LogP1.32
Rot. Bonds6

About 2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone

2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone (PubChem CID 70342538) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone
PubChem CID70342538
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone
SMILESCOCO[C@H]1CCN(C(=O)CNc2ccccc2)C1
InChIInChI=1S/C14H20N2O3/c1-18-11-19-13-7-8-16(10-13)14(17)9-15-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3/t13-/m0/s1
InChIKeyBXEFSVIKELWABJ-ZDUSSCGKSA-N
XLogP1.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82695740
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
(2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one
CID 70065546
4-[[(2S)-3-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylpropyl]amino]benzoic acid
CID 70251699
2-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560
2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
CID 119794892
(2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol
CID 70213371
2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119842954
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 78986936

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone (CID 70342538) is 2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone is COCO[C@H]1CCN(C(=O)CNc2ccccc2)C1.
What is the InChIKey of 2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone?
The InChIKey is BXEFSVIKELWABJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-11-19-13-7-8-16(10-13)14(17)9-15-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone?
2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone has a molecular weight of 264.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 70342538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).