(2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide

C23H26N4O4 — CID 131725521

IUPAC(2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC(=NOC)CN3C(=O)COC)ccc21
InChIInChI=1S/C23H26N4O4/c1-4-26-19-8-6-5-7-17(19)18-11-15(9-10-20(18)26)24-23(29)21-12-16(25-31-3)13-27(21)22(28)14-30-2/h5-11,21H,4,12-14H2,1-3H3,(H,24,29)/t21-/m0/s1
InChIKeyHVXXNXLMLUSOOD-NRFANRHFSA-N
MW422.49 g/mol
LogP3.00
Rot. Bonds6

About (2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide

(2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide (PubChem CID 131725521) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is (2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
PubChem CID131725521
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name(2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC(=NOC)CN3C(=O)COC)ccc21
InChIInChI=1S/C23H26N4O4/c1-4-26-19-8-6-5-7-17(19)18-11-15(9-10-20(18)26)24-23(29)21-12-16(25-31-3)13-27(21)22(28)14-30-2/h5-11,21H,4,12-14H2,1-3H3,(H,24,29)/t21-/m0/s1
InChIKeyHVXXNXLMLUSOOD-NRFANRHFSA-N
XLogP3.00
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide (CID 131725521) is (2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide is CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC(=NOC)CN3C(=O)COC)ccc21.
What is the InChIKey of (2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide?
The InChIKey is HVXXNXLMLUSOOD-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-4-26-19-8-6-5-7-17(19)18-11-15(9-10-20(18)26)24-23(29)21-12-16(25-31-3)13-27(21)22(28)14-30-2/h5-11,21H,4,12-14H2,1-3H3,(H,24,29)/t21-/m0/s1.
What are the key properties of (2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide?
(2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide is sourced from PubChem (CID 131725521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).