N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

C17H20N4O3 — CID 9213540

IUPACN-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)N/N=C2/CCc3ccccc32)C1=O
InChIInChI=1S/C17H20N4O3/c1-17(2)15(23)21(16(24)18-17)10-9-14(22)20-19-13-8-7-11-5-3-4-6-12(11)13/h3-6H,7-10H2,1-2H3,(H,18,24)(H,20,22)/b19-13-
InChIKeyXQWSBQGYCRAOTJ-UYRXBGFRSA-N
MW328.37 g/mol
LogP1.17
Rot. Bonds4

About N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 9213540) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID9213540
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)N/N=C2/CCc3ccccc32)C1=O
InChIInChI=1S/C17H20N4O3/c1-17(2)15(23)21(16(24)18-17)10-9-14(22)20-19-13-8-7-11-5-3-4-6-12(11)13/h3-6H,7-10H2,1-2H3,(H,18,24)(H,20,22)/b19-13-
InChIKeyXQWSBQGYCRAOTJ-UYRXBGFRSA-N
XLogP1.17
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'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 N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 9213540) is N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is CC1(C)NC(=O)N(CCC(=O)N/N=C2/CCc3ccccc32)C1=O.
What is the InChIKey of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is XQWSBQGYCRAOTJ-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-17(2)15(23)21(16(24)18-17)10-9-14(22)20-19-13-8-7-11-5-3-4-6-12(11)13/h3-6H,7-10H2,1-2H3,(H,18,24)(H,20,22)/b19-13-.
What are the key properties of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 328.37 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 9213540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).