2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide

C26H34N2O4 — CID 58533381

IUPAC2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@H](C(=O)N1CC(Oc2ccccc2)C[C@H]1COc1ccccc1)C(C)C
InChIInChI=1S/C26H34N2O4/c1-18(2)24(27-25(29)19(3)4)26(30)28-16-23(32-22-13-9-6-10-14-22)15-20(28)17-31-21-11-7-5-8-12-21/h5-14,18-20,23-24H,15-17H2,1-4H3,(H,27,29)/t20-,23?,24-/m0/s1
InChIKeyPOYYHWMSESZPME-PXTRNLTBSA-N
MW438.57 g/mol
LogP3.91
Rot. Bonds9

About 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide

2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide (PubChem CID 58533381) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide
PubChem CID58533381
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@H](C(=O)N1CC(Oc2ccccc2)C[C@H]1COc1ccccc1)C(C)C
InChIInChI=1S/C26H34N2O4/c1-18(2)24(27-25(29)19(3)4)26(30)28-16-23(32-22-13-9-6-10-14-22)15-20(28)17-31-21-11-7-5-8-12-21/h5-14,18-20,23-24H,15-17H2,1-4H3,(H,27,29)/t20-,23?,24-/m0/s1
InChIKeyPOYYHWMSESZPME-PXTRNLTBSA-N
XLogP3.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide (CID 58533381) is 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide is CC(C)C(=O)N[C@H](C(=O)N1CC(Oc2ccccc2)C[C@H]1COc1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide?
The InChIKey is POYYHWMSESZPME-PXTRNLTBSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-18(2)24(27-25(29)19(3)4)26(30)28-16-23(32-22-13-9-6-10-14-22)15-20(28)17-31-21-11-7-5-8-12-21/h5-14,18-20,23-24H,15-17H2,1-4H3,(H,27,29)/t20-,23?,24-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide?
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide has a molecular weight of 438.57 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-4-phenoxy-2-(phenoxymethyl)pyrrolidin-1-yl]butan-2-yl]propanamide is sourced from PubChem (CID 58533381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).