N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide

C16H22N2O3 — CID 95981025

IUPACN-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide
SMILESCN1CC[C@H](NC(=O)CCCOCc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O3/c1-18-10-9-14(16(18)20)17-15(19)8-5-11-21-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyCIYQNHFASGJQGG-AWEZNQCLSA-N
MW290.36 g/mol
LogP1.33
Rot. Bonds7

About N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide

N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide (PubChem CID 95981025) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide
PubChem CID95981025
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide
SMILESCN1CC[C@H](NC(=O)CCCOCc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O3/c1-18-10-9-14(16(18)20)17-15(19)8-5-11-21-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyCIYQNHFASGJQGG-AWEZNQCLSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide?
The IUPAC name of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide (CID 95981025) is N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide.
What is the SMILES notation for N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide?
The canonical SMILES for N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide is CN1CC[C@H](NC(=O)CCCOCc2ccccc2)C1=O.
What is the InChIKey of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide?
The InChIKey is CIYQNHFASGJQGG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18-10-9-14(16(18)20)17-15(19)8-5-11-21-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide?
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide has a molecular weight of 290.36 g/mol, XLogP of 1.33, 7 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]-4-phenylmethoxybutanamide is sourced from PubChem (CID 95981025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).