N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C13H23N3O3 — CID 2604804

IUPACN-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)C[C@@H]1NC(=O)N(CC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C13H23N3O3/c1-8(2)6-9-11(18)16(12(19)14-9)7-10(17)15-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,17)/t9-/m0/s1
InChIKeyRBCBTTPKCPKTKX-VIFPVBQESA-N
MW269.34 g/mol
LogP0.87
Rot. Bonds4

About N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2604804) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2604804
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)C[C@@H]1NC(=O)N(CC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C13H23N3O3/c1-8(2)6-9-11(18)16(12(19)14-9)7-10(17)15-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,17)/t9-/m0/s1
InChIKeyRBCBTTPKCPKTKX-VIFPVBQESA-N
XLogP0.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3643364
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2704316
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 112774928
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 2635015
N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41037603
N-[1-(2-methylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17400640
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24605906
N-(4-ethylphenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4877686
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2704225
N,N-dimethyl-4-[[2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 24605915
N-(3-ethylphenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18077063
(5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 6601758

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2604804) is N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)C[C@@H]1NC(=O)N(CC(=O)NC(C)(C)C)C1=O.
What is the InChIKey of N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is RBCBTTPKCPKTKX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23N3O3/c1-8(2)6-9-11(18)16(12(19)14-9)7-10(17)15-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,17)/t9-/m0/s1.
What are the key properties of N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 269.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2604804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).