2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide

C17H31N3O3 — CID 7180650

IUPAC2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)CC[C@]1(C)NC(=O)N(CC(=O)N(C(C)C)C(C)C)C1=O
InChIInChI=1S/C17H31N3O3/c1-11(2)8-9-17(7)15(22)19(16(23)18-17)10-14(21)20(12(3)4)13(5)6/h11-13H,8-10H2,1-7H3,(H,18,23)/t17-/m0/s1
InChIKeyCJKUBADTPBBKIH-KRWDZBQOSA-N
MW325.45 g/mol
LogP2.38
Rot. Bonds7

About 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide

2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 7180650) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID7180650
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)CC[C@]1(C)NC(=O)N(CC(=O)N(C(C)C)C(C)C)C1=O
InChIInChI=1S/C17H31N3O3/c1-11(2)8-9-17(7)15(22)19(16(23)18-17)10-14(21)20(12(3)4)13(5)6/h11-13H,8-10H2,1-7H3,(H,18,23)/t17-/m0/s1
InChIKeyCJKUBADTPBBKIH-KRWDZBQOSA-N
XLogP2.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.38
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

2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 42964360
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 4810319
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 7180641
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8506922
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 42964362
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7180713
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 4804619
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 4810317
[2-(N-methylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9010927
N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 25389480
N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41037231

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide (CID 7180650) is 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)CC[C@]1(C)NC(=O)N(CC(=O)N(C(C)C)C(C)C)C1=O.
What is the InChIKey of 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is CJKUBADTPBBKIH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-11(2)8-9-17(7)15(22)19(16(23)18-17)10-14(21)20(12(3)4)13(5)6/h11-13H,8-10H2,1-7H3,(H,18,23)/t17-/m0/s1.
What are the key properties of 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 325.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 7180650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).