(2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide

C29H31N3O5 — CID 131726406

IUPAC(2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCON=C1C[C@@H](C(=O)NCC(O)COc2ccccc2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1
InChIInChI=1S/C29H31N3O5/c1-20-8-6-7-11-26(20)21-12-14-22(15-13-21)29(35)32-18-23(31-36-2)16-27(32)28(34)30-17-24(33)19-37-25-9-4-3-5-10-25/h3-15,24,27,33H,16-19H2,1-2H3,(H,30,34)/t24?,27-/m0/s1
InChIKeyGANGPXDNKSQURD-WKDCXCOVSA-N
MW501.58 g/mol
LogP3.44
Rot. Bonds9

About (2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide

(2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 131726406) has the molecular formula C29H31N3O5 and a molecular weight of 501.58 g/mol. Its IUPAC name is (2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID131726406
Molecular FormulaC29H31N3O5
Molecular Weight501.58 g/mol
Exact Mass501.23
IUPAC Name(2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCON=C1C[C@@H](C(=O)NCC(O)COc2ccccc2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1
InChIInChI=1S/C29H31N3O5/c1-20-8-6-7-11-26(20)21-12-14-22(15-13-21)29(35)32-18-23(31-36-2)16-27(32)28(34)30-17-24(33)19-37-25-9-4-3-5-10-25/h3-15,24,27,33H,16-19H2,1-2H3,(H,30,34)/t24?,27-/m0/s1
InChIKeyGANGPXDNKSQURD-WKDCXCOVSA-N
XLogP3.44
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 131726386
N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 87886728
(2S)-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 131725575
(2S,4E)-N-[(2S)-2-hydroxy-3-phenoxypropyl]-4-methoxyimino-1-(4-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 87752356
(2S,4Z)-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methoxyimino-1-(4-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 10142659
(4E)-N-(2-hydroxy-2-phenylethyl)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 10161505
(2S,4Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 10164145
(4E)-N-(2-hydroxy-2-phenylethyl)-4-methoxyimino-1-(4-pyridin-4-ylbenzoyl)pyrrolidine-2-carboxamide
CID 10139308
(2S,4Z)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxyimino-1-(4-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 87753023
2-[(2S)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidin-2-yl]-N-methylacetamide
CID 139969842
N-[(3R)-3-hydroxy-3-phenylpropyl]-2-[(2S)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidin-2-yl]acetamide
CID 139969899
(2S)-N-(2-anilinoethyl)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 131725611

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide (CID 131726406) is (2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide is CON=C1C[C@@H](C(=O)NCC(O)COc2ccccc2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1.
What is the InChIKey of (2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is GANGPXDNKSQURD-WKDCXCOVSA-N. The full InChI is InChI=1S/C29H31N3O5/c1-20-8-6-7-11-26(20)21-12-14-22(15-13-21)29(35)32-18-23(31-36-2)16-27(32)28(34)30-17-24(33)19-37-25-9-4-3-5-10-25/h3-15,24,27,33H,16-19H2,1-2H3,(H,30,34)/t24?,27-/m0/s1.
What are the key properties of (2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide?
(2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 501.58 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 131726406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).