N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide

C18H23N3O4 — CID 119052883

IUPACN-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide
SMILESCOCC(C)C(=O)Nc1cccc(N2C(=O)NC(C)(C3CC3)C2=O)c1
InChIInChI=1S/C18H23N3O4/c1-11(10-25-3)15(22)19-13-5-4-6-14(9-13)21-16(23)18(2,12-7-8-12)20-17(21)24/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyLUQQRRVDMACODQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.13
Rot. Bonds6

About N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide

N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide (PubChem CID 119052883) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide
PubChem CID119052883
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide
SMILESCOCC(C)C(=O)Nc1cccc(N2C(=O)NC(C)(C3CC3)C2=O)c1
InChIInChI=1S/C18H23N3O4/c1-11(10-25-3)15(22)19-13-5-4-6-14(9-13)21-16(23)18(2,12-7-8-12)20-17(21)24/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyLUQQRRVDMACODQ-UHFFFAOYSA-N
XLogP2.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 122140217
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 30932708
methyl 3-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 16557283
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41089149
2-[[3-[(3-methoxy-2-methylpropanoyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240630
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 29331962
N'-[[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 120913380
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16557047
3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide
CID 78903832
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 81088851
N-[3-(1-hydroxy-2-methoxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide
CID 126817903
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide?
The IUPAC name of N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide (CID 119052883) is N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide?
The canonical SMILES for N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide is COCC(C)C(=O)Nc1cccc(N2C(=O)NC(C)(C3CC3)C2=O)c1.
What is the InChIKey of N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide?
The InChIKey is LUQQRRVDMACODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11(10-25-3)15(22)19-13-5-4-6-14(9-13)21-16(23)18(2,12-7-8-12)20-17(21)24/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,22)(H,20,24).
What are the key properties of N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide?
N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide has a molecular weight of 345.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 119052883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).