2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide

C21H23N3O4 — CID 124860847

IUPAC2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(C[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCC1CCOCC1
InChIInChI=1S/C21H23N3O4/c25-19(22-13-14-8-10-28-11-9-14)12-17-20(26)24(21(27)23-17)18-7-3-5-15-4-1-2-6-16(15)18/h1-7,14,17H,8-13H2,(H,22,25)(H,23,27)/t17-/m1/s1
InChIKeyDXEGKWVRAAXJHC-QGZVFWFLSA-N
MW381.43 g/mol
LogP2.20
Rot. Bonds5

About 2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide

2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 124860847) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID124860847
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(C[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCC1CCOCC1
InChIInChI=1S/C21H23N3O4/c25-19(22-13-14-8-10-28-11-9-14)12-17-20(26)24(21(27)23-17)18-7-3-5-15-4-1-2-6-16(15)18/h1-7,14,17H,8-13H2,(H,22,25)(H,23,27)/t17-/m1/s1
InChIKeyDXEGKWVRAAXJHC-QGZVFWFLSA-N
XLogP2.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.20
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

2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 91641286
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 99871045
2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124863995
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124850987
3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 122169569
(5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione
CID 99779485
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124849117
N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110205776
3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124841892
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 95555829
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124850117
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 126418695

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide (CID 124860847) is 2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide is O=C(C[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCC1CCOCC1.
What is the InChIKey of 2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is DXEGKWVRAAXJHC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-19(22-13-14-8-10-28-11-9-14)12-17-20(26)24(21(27)23-17)18-7-3-5-15-4-1-2-6-16(15)18/h1-7,14,17H,8-13H2,(H,22,25)(H,23,27)/t17-/m1/s1.
What are the key properties of 2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide?
2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 381.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 124860847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).