N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C26H34N4O4 — CID 51873075

IUPACN-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(CC)[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)c1cccc(OC)c1
InChIInChI=1S/C26H34N4O4/c1-6-29(7-2)22(19-9-8-10-21(15-19)34-5)16-27-23(31)17-30-24(32)26(4,28-25(30)33)20-13-11-18(3)12-14-20/h8-15,22H,6-7,16-17H2,1-5H3,(H,27,31)(H,28,33)/t22-,26-/m1/s1
InChIKeyQGJVULGUTQDODL-ATIYNZHBSA-N
MW466.58 g/mol
LogP2.97
Rot. Bonds10

About N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 51873075) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID51873075
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC NameN-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(CC)[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)c1cccc(OC)c1
InChIInChI=1S/C26H34N4O4/c1-6-29(7-2)22(19-9-8-10-21(15-19)34-5)16-27-23(31)17-30-24(32)26(4,28-25(30)33)20-13-11-18(3)12-14-20/h8-15,22H,6-7,16-17H2,1-5H3,(H,27,31)(H,28,33)/t22-,26-/m1/s1
InChIKeyQGJVULGUTQDODL-ATIYNZHBSA-N
XLogP2.97
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46447043
ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
CID 55878079
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55592320
N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119527688
N-[2-(methylamino)propyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 120831423
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
N-(2,5-dimethoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581820
methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate
CID 55454996
methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
CID 55454924
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 17403701
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 2581518

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 51873075) is N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(CC)[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)c1cccc(OC)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is QGJVULGUTQDODL-ATIYNZHBSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-6-29(7-2)22(19-9-8-10-21(15-19)34-5)16-27-23(31)17-30-24(32)26(4,28-25(30)33)20-13-11-18(3)12-14-20/h8-15,22H,6-7,16-17H2,1-5H3,(H,27,31)(H,28,33)/t22-,26-/m1/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 466.58 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 51873075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).