5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione

C20H29N3O2 — CID 60508350

IUPAC5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc2c(c1)CCCN2CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C20H29N3O2/c1-14(2)15-8-9-17-16(13-15)7-5-10-22(17)11-6-12-23-18(24)20(3,4)21-19(23)25/h8-9,13-14H,5-7,10-12H2,1-4H3,(H,21,25)
InChIKeyLGRCHDXOKYNNIV-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.28
Rot. Bonds5

About 5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 60508350) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID60508350
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc2c(c1)CCCN2CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C20H29N3O2/c1-14(2)15-8-9-17-16(13-15)7-5-10-22(17)11-6-12-23-18(24)20(3,4)21-19(23)25/h8-9,13-14H,5-7,10-12H2,1-4H3,(H,21,25)
InChIKeyLGRCHDXOKYNNIV-UHFFFAOYSA-N
XLogP3.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Propanamide, N-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-quinolinyl)-
CID 112580
N-tert-butyl-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 648838
N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 2086380
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
CID 2106714
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2708827
N-(3-fluoro-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4694377
N-(3,5-dimethylphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4879217
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 9502285
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9503158
1-[2-[(2,4-Dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 9505890
N-(2,4-Dimethylphenyl)-N'-[3-(2-oxo-1-pyrrolidinyl)propyl]urea
CID 24819495
N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1(2H)-carboxamide
CID 2874228

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione (CID 60508350) is 5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione is CC(C)c1ccc2c(c1)CCCN2CCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is LGRCHDXOKYNNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(2)15-8-9-17-16(13-15)7-5-10-22(17)11-6-12-23-18(24)20(3,4)21-19(23)25/h8-9,13-14H,5-7,10-12H2,1-4H3,(H,21,25).
What are the key properties of 5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 343.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60508350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).