2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide

C21H23N3O4 — CID 97156727

IUPAC2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide
SMILESCN1C(=O)[C@@H](CC(=O)NCCc2cccc(Oc3ccccc3)c2)N(C)C1=O
InChIInChI=1S/C21H23N3O4/c1-23-18(20(26)24(2)21(23)27)14-19(25)22-12-11-15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyVPQFHBYQGPXONJ-GOSISDBHSA-N
MW381.43 g/mol
LogP2.42
Rot. Bonds7

About 2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide

2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide (PubChem CID 97156727) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide
PubChem CID97156727
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide
SMILESCN1C(=O)[C@@H](CC(=O)NCCc2cccc(Oc3ccccc3)c2)N(C)C1=O
InChIInChI=1S/C21H23N3O4/c1-23-18(20(26)24(2)21(23)27)14-19(25)22-12-11-15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyVPQFHBYQGPXONJ-GOSISDBHSA-N
XLogP2.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 74246446
N-[3-(3-phenoxyphenyl)propyl]propanamide
CID 58062216
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 97156487
N-ethyl-2-[(3-phenoxyphenyl)methylamino]acetamide
CID 43398912
N-[2-(3-methoxyphenyl)ethyl]-2-(4-phenoxyanilino)acetamide
CID 109001103
2-(1-cyclopropylpiperidin-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 110754764
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 97134428
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 97154090
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78879278

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide (CID 97156727) is 2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide is CN1C(=O)[C@@H](CC(=O)NCCc2cccc(Oc3ccccc3)c2)N(C)C1=O.
What is the InChIKey of 2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide?
The InChIKey is VPQFHBYQGPXONJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-23-18(20(26)24(2)21(23)27)14-19(25)22-12-11-15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of 2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide?
2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 97156727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).