3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide

C22H33ClN4O3 — CID 146266024

IUPAC3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide
SMILESCCN(CCN(C)c1cc(Cl)ccc1C)C(=O)CCC1(C(C)(C)C)NC(=O)NC1=O
InChIInChI=1S/C22H33ClN4O3/c1-7-27(13-12-26(6)17-14-16(23)9-8-15(17)2)18(28)10-11-22(21(3,4)5)19(29)24-20(30)25-22/h8-9,14H,7,10-13H2,1-6H3,(H2,24,25,29,30)
InChIKeyZRQWACQQTVIMJU-UHFFFAOYSA-N
MW436.98 g/mol
LogP3.34
Rot. Bonds8

About 3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide

3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide (PubChem CID 146266024) has the molecular formula C22H33ClN4O3 and a molecular weight of 436.98 g/mol. Its IUPAC name is 3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide
PubChem CID146266024
Molecular FormulaC22H33ClN4O3
Molecular Weight436.98 g/mol
Exact Mass436.22
IUPAC Name3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide
SMILESCCN(CCN(C)c1cc(Cl)ccc1C)C(=O)CCC1(C(C)(C)C)NC(=O)NC1=O
InChIInChI=1S/C22H33ClN4O3/c1-7-27(13-12-26(6)17-14-16(23)9-8-15(17)2)18(28)10-11-22(21(3,4)5)19(29)24-20(30)25-22/h8-9,14H,7,10-13H2,1-6H3,(H2,24,25,29,30)
InChIKeyZRQWACQQTVIMJU-UHFFFAOYSA-N
XLogP3.34
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.98
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide 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

1-N-(5-chloro-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 117028791
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine
CID 28772754
3-[tert-butyl-(5-chloro-2-methylbenzoyl)amino]propanoic acid
CID 82880950
N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 53280894
2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid
CID 117013506
5-chloro-N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82883488
3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide
CID 113124355
(4R)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7430707
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 81321990
3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide
CID 106916789
(4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7430706

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide?
The IUPAC name of 3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide (CID 146266024) is 3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide.
What is the SMILES notation for 3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide?
The canonical SMILES for 3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide is CCN(CCN(C)c1cc(Cl)ccc1C)C(=O)CCC1(C(C)(C)C)NC(=O)NC1=O.
What is the InChIKey of 3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide?
The InChIKey is ZRQWACQQTVIMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN4O3/c1-7-27(13-12-26(6)17-14-16(23)9-8-15(17)2)18(28)10-11-22(21(3,4)5)19(29)24-20(30)25-22/h8-9,14H,7,10-13H2,1-6H3,(H2,24,25,29,30).
What are the key properties of 3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide?
3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide has a molecular weight of 436.98 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-chloro-N,2-dimethylanilino)ethyl]-N-ethylpropanamide is sourced from PubChem (CID 146266024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).