N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide

C21H30N4O3 — CID 156836401

IUPACN-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCN(C)/C(=N\N(C=O)C1CCC(=O)NC1=O)C1=CC=CC(C)(C(C)(C)C)C=C1
InChIInChI=1S/C21H30N4O3/c1-20(2,3)21(4)12-7-8-15(11-13-21)18(24(5)6)23-25(14-26)16-9-10-17(27)22-19(16)28/h7-8,11-14,16H,9-10H2,1-6H3,(H,22,27,28)/b23-18-
InChIKeyYBGNFQGXMYDLJG-NKFKGCMQSA-N
MW386.50 g/mol
LogP2.23
Rot. Bonds4

About N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide

N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide (PubChem CID 156836401) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

Compound NameN-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide
PubChem CID156836401
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCN(C)/C(=N\N(C=O)C1CCC(=O)NC1=O)C1=CC=CC(C)(C(C)(C)C)C=C1
InChIInChI=1S/C21H30N4O3/c1-20(2,3)21(4)12-7-8-15(11-13-21)18(24(5)6)23-25(14-26)16-9-10-17(27)22-19(16)28/h7-8,11-14,16H,9-10H2,1-6H3,(H,22,27,28)/b23-18-
InChIKeyYBGNFQGXMYDLJG-NKFKGCMQSA-N
XLogP2.23
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide 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 N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide?
The IUPAC name of N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide (CID 156836401) is N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide.
What is the SMILES notation for N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide?
The canonical SMILES for N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide is CN(C)/C(=N\N(C=O)C1CCC(=O)NC1=O)C1=CC=CC(C)(C(C)(C)C)C=C1.
What is the InChIKey of N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide?
The InChIKey is YBGNFQGXMYDLJG-NKFKGCMQSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-20(2,3)21(4)12-7-8-15(11-13-21)18(24(5)6)23-25(14-26)16-9-10-17(27)22-19(16)28/h7-8,11-14,16H,9-10H2,1-6H3,(H,22,27,28)/b23-18-.
What are the key properties of N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide?
N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 386.50 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 156836401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).