N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide

C14H18N2O3 — CID 124607045

IUPACN-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide
SMILESCN1CC[C@H](NC(=O)COCc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-16-8-7-12(14(16)18)15-13(17)10-19-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyGSSVSVXJXJFBPL-LBPRGKRZSA-N
MW262.31 g/mol
LogP0.55
Rot. Bonds5

About N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide

N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide (PubChem CID 124607045) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide
PubChem CID124607045
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide
SMILESCN1CC[C@H](NC(=O)COCc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-16-8-7-12(14(16)18)15-13(17)10-19-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyGSSVSVXJXJFBPL-LBPRGKRZSA-N
XLogP0.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide
CID 95981025
N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide
CID 53488379
2-(2-aminoethoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 103810783
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide
CID 110025482
2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106249589
(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
CID 95197684
2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 71994594
3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide
CID 106256271
cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675538
2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 18417096
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea
CID 97231599

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide (CID 124607045) is N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide is CN1CC[C@H](NC(=O)COCc2ccccc2)C1=O.
What is the InChIKey of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide?
The InChIKey is GSSVSVXJXJFBPL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16-8-7-12(14(16)18)15-13(17)10-19-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide?
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide has a molecular weight of 262.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 124607045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).