N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

C17H20F2N4O4 — CID 9213764

IUPACN-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESC/C(=N/NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H20F2N4O4/c1-10(11-4-6-12(7-5-11)27-15(18)19)21-22-13(24)8-9-23-14(25)17(2,3)20-16(23)26/h4-7,15H,8-9H2,1-3H3,(H,20,26)(H,22,24)/b21-10-
InChIKeyNMOGBXVALIBNRL-FBHDLOMBSA-N
MW382.37 g/mol
LogP1.85
Rot. Bonds7

About N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 9213764) has the molecular formula C17H20F2N4O4 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID9213764
Molecular FormulaC17H20F2N4O4
Molecular Weight382.37 g/mol
Exact Mass382.15
IUPAC NameN-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESC/C(=N/NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H20F2N4O4/c1-10(11-4-6-12(7-5-11)27-15(18)19)21-22-13(24)8-9-23-14(25)17(2,3)20-16(23)26/h4-7,15H,8-9H2,1-3H3,(H,20,26)(H,22,24)/b21-10-
InChIKeyNMOGBXVALIBNRL-FBHDLOMBSA-N
XLogP1.85
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9214116
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213505
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(2-methylphenyl)ethylideneamino]propanamide
CID 9214057
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(4-fluorophenyl)propylideneamino]propanamide
CID 9213702
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]propanamide
CID 9213385
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213512
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 135577156
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(4-methoxynaphthalen-1-yl)ethylideneamino]propanamide
CID 9214359
methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 6113890
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 9213209
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 9213764) is N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is C/C(=N/NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is NMOGBXVALIBNRL-FBHDLOMBSA-N. The full InChI is InChI=1S/C17H20F2N4O4/c1-10(11-4-6-12(7-5-11)27-15(18)19)21-22-13(24)8-9-23-14(25)17(2,3)20-16(23)26/h4-7,15H,8-9H2,1-3H3,(H,20,26)(H,22,24)/b21-10-.
What are the key properties of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 382.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 9213764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).