N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

C19H26N4O3 — CID 9213794

IUPACN-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C19H26N4O3/c1-18(2,3)14-8-6-13(7-9-14)12-20-22-15(24)10-11-23-16(25)19(4,5)21-17(23)26/h6-9,12H,10-11H2,1-5H3,(H,21,26)(H,22,24)/b20-12-
InChIKeyQTENYPCPJRVNQV-NDENLUEZSA-N
MW358.44 g/mol
LogP2.15
Rot. Bonds5

About N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 9213794) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID9213794
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C19H26N4O3/c1-18(2,3)14-8-6-13(7-9-14)12-20-22-15(24)10-11-23-16(25)19(4,5)21-17(23)26/h6-9,12H,10-11H2,1-5H3,(H,21,26)(H,22,24)/b20-12-
InChIKeyQTENYPCPJRVNQV-NDENLUEZSA-N
XLogP2.15
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.15
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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Related Compounds

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 9213209
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
CID 9213261
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]propanamide
CID 8974460
[4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 9214062
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 9213604
N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9214464
N-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9214440
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 135577184
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632
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
N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 2356638

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 9213794) is N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is CC1(C)NC(=O)N(CCC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is QTENYPCPJRVNQV-NDENLUEZSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-18(2,3)14-8-6-13(7-9-14)12-20-22-15(24)10-11-23-16(25)19(4,5)21-17(23)26/h6-9,12H,10-11H2,1-5H3,(H,21,26)(H,22,24)/b20-12-.
What are the key properties of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 9213794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).