(2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide

C25H25N3O4 — CID 10181155

IUPAC(2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
SMILESCO/N=C1/C[C@@H](C(=O)NCc2cccc3ccccc23)N(C(=O)COc2ccccc2)C1
InChIInChI=1S/C25H25N3O4/c1-31-27-20-14-23(28(16-20)24(29)17-32-21-11-3-2-4-12-21)25(30)26-15-19-10-7-9-18-8-5-6-13-22(18)19/h2-13,23H,14-17H2,1H3,(H,26,30)/b27-20-/t23-/m0/s1
InChIKeyRZAUTCKGFSGBFU-OKRIBVEGSA-N
MW431.49 g/mol
LogP3.14
Rot. Bonds7

About (2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide

(2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide (PubChem CID 10181155) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is (2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
PubChem CID10181155
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name(2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
SMILESCO/N=C1/C[C@@H](C(=O)NCc2cccc3ccccc23)N(C(=O)COc2ccccc2)C1
InChIInChI=1S/C25H25N3O4/c1-31-27-20-14-23(28(16-20)24(29)17-32-21-11-3-2-4-12-21)25(30)26-15-19-10-7-9-18-8-5-6-13-22(18)19/h2-13,23H,14-17H2,1H3,(H,26,30)/b27-20-/t23-/m0/s1
InChIKeyRZAUTCKGFSGBFU-OKRIBVEGSA-N
XLogP3.14
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
CID 10224687
(2S,4E)-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide
CID 87752402
(2S)-N-benzyl-1-(2,2-diphenylacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 131725459
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
(2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 131725521
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129
(2S)-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 131726386
(2S,4E)-N-benzyl-1-(2,2-diphenylacetyl)-4-[(4-methoxyphenyl)methoxyimino]pyrrolidine-2-carboxamide
CID 87752107
methyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745517
(2S)-N-(2-hydroxy-3-phenoxypropyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 131726406
1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 142687684
(2S)-N-(2-anilinoethyl)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 131725611

Frequently Asked Questions

What is the IUPAC name of (2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide (CID 10181155) is (2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide is CO/N=C1/C[C@@H](C(=O)NCc2cccc3ccccc23)N(C(=O)COc2ccccc2)C1.
What is the InChIKey of (2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide?
The InChIKey is RZAUTCKGFSGBFU-OKRIBVEGSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-31-27-20-14-23(28(16-20)24(29)17-32-21-11-3-2-4-12-21)25(30)26-15-19-10-7-9-18-8-5-6-13-22(18)19/h2-13,23H,14-17H2,1H3,(H,26,30)/b27-20-/t23-/m0/s1.
What are the key properties of (2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide?
(2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 10181155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).