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

C29H30N4O4 — CID 131737531

IUPACN-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3CC(=NOCc4ccccc4)CN3C(=O)COC)ccc21
InChIInChI=1S/C29H30N4O4/c1-3-32-25-12-8-7-11-23(25)24-15-21(13-14-26(24)32)30-29(35)27-16-22(17-33(27)28(34)19-36-2)31-37-18-20-9-5-4-6-10-20/h4-15,27H,3,16-19H2,1-2H3,(H,30,35)
InChIKeyARHHOCQENREXLR-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.57
Rot. Bonds8

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

N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide (PubChem CID 131737531) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide
PubChem CID131737531
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC NameN-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3CC(=NOCc4ccccc4)CN3C(=O)COC)ccc21
InChIInChI=1S/C29H30N4O4/c1-3-32-25-12-8-7-11-23(25)24-15-21(13-14-26(24)32)30-29(35)27-16-22(17-33(27)28(34)19-36-2)31-37-18-20-9-5-4-6-10-20/h4-15,27H,3,16-19H2,1-2H3,(H,30,35)
InChIKeyARHHOCQENREXLR-UHFFFAOYSA-N
XLogP4.57
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.57
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'}

Analyze N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-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-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 131725521
(2S)-1-benzoyl-N-(9-ethylcarbazol-3-yl)-4-prop-2-enoxyiminopyrrolidine-2-carboxamide
CID 131725401
(2S,4Z)-N-(9-ethylcarbazol-3-yl)-4-methoxyimino-1-(2-oxo-6-pentylpyran-3-carbonyl)pyrrolidine-2-carboxamide
CID 87752363
(2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 87752450
(2S,4E)-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide
CID 87752402
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 45008831
(2S)-1-N-benzoyl-4-(cyanomethylidene)-2-N-(9-ethylcarbazol-3-yl)pyrrolidine-1,2-dicarboxamide
CID 69250222
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675
N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide
CID 22223551
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 71898551

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide (CID 131737531) is N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide is CCn1c2ccccc2c2cc(NC(=O)C3CC(=NOCc4ccccc4)CN3C(=O)COC)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide?
The InChIKey is ARHHOCQENREXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-3-32-25-12-8-7-11-23(25)24-15-21(13-14-26(24)32)30-29(35)27-16-22(17-33(27)28(34)19-36-2)31-37-18-20-9-5-4-6-10-20/h4-15,27H,3,16-19H2,1-2H3,(H,30,35).
What are the key properties of N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide?
N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide is sourced from PubChem (CID 131737531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).