N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide

C20H23N3O3 — CID 120747606

IUPACN-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
SMILESN[C@@H]1CN(C(=O)CNC(=O)COc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H23N3O3/c21-18-13-23(12-17(18)15-7-3-1-4-8-15)20(25)11-22-19(24)14-26-16-9-5-2-6-10-16/h1-10,17-18H,11-14,21H2,(H,22,24)/t17-,18+/m0/s1
InChIKeyQIEXQSJLKSGLNF-ZWKOTPCHSA-N
MW353.42 g/mol
LogP1.13
Rot. Bonds6

About N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide

N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide (PubChem CID 120747606) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
PubChem CID120747606
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
SMILESN[C@@H]1CN(C(=O)CNC(=O)COc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H23N3O3/c21-18-13-23(12-17(18)15-7-3-1-4-8-15)20(25)11-22-19(24)14-26-16-9-5-2-6-10-16/h1-10,17-18H,11-14,21H2,(H,22,24)/t17-,18+/m0/s1
InChIKeyQIEXQSJLKSGLNF-ZWKOTPCHSA-N
XLogP1.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(3-bromophenoxy)ethanone;hydrochloride
CID 120747627
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(3-fluorophenoxy)ethanone;hydrochloride
CID 120749831
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 120744894
methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166518
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
N-[3-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 120747954
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 120743530
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(2-phenylethoxy)ethanone;hydrochloride
CID 120746836
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 120750346
2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 120534066
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 120749289

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide (CID 120747606) is N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide is N[C@@H]1CN(C(=O)CNC(=O)COc2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide?
The InChIKey is QIEXQSJLKSGLNF-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H23N3O3/c21-18-13-23(12-17(18)15-7-3-1-4-8-15)20(25)11-22-19(24)14-26-16-9-5-2-6-10-16/h1-10,17-18H,11-14,21H2,(H,22,24)/t17-,18+/m0/s1.
What are the key properties of N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide?
N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide has a molecular weight of 353.42 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide is sourced from PubChem (CID 120747606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).