N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide

C21H24N4O5 — CID 8570806

IUPACN-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)CN1C(=O)N[C@@](C)(c2ccc3cc(OC)ccc3c2)C1=O
InChIInChI=1S/C21H24N4O5/c1-4-22-17(26)11-23-18(27)12-25-19(28)21(2,24-20(25)29)15-7-5-14-10-16(30-3)8-6-13(14)9-15/h5-10H,4,11-12H2,1-3H3,(H,22,26)(H,23,27)(H,24,29)/t21-/m0/s1
InChIKeyRJTCNQQNRJGAAB-NRFANRHFSA-N
MW412.45 g/mol
LogP0.87
Rot. Bonds7

About N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide

N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide (PubChem CID 8570806) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide
PubChem CID8570806
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC NameN-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)CN1C(=O)N[C@@](C)(c2ccc3cc(OC)ccc3c2)C1=O
InChIInChI=1S/C21H24N4O5/c1-4-22-17(26)11-23-18(27)12-25-19(28)21(2,24-20(25)29)15-7-5-14-10-16(30-3)8-6-13(14)9-15/h5-10H,4,11-12H2,1-3H3,(H,22,26)(H,23,27)(H,24,29)/t21-/m0/s1
InChIKeyRJTCNQQNRJGAAB-NRFANRHFSA-N
XLogP0.87
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide
CID 8570824
2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2477643
2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2098354
N-[2-(ethylamino)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 119509184
N-[2-(4-chlorophenyl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3945063
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119504052
N-ethyl-2-[[2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetyl]amino]acetamide
CID 8625287
N-[2-(4-methoxyphenoxy)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55416466
butyl 4-[[2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 26058006
butyl 4-[[2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 3651067
2-[[2-[(4S)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-ethylacetamide
CID 9490750
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41105576

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide (CID 8570806) is N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide is CCNC(=O)CNC(=O)CN1C(=O)N[C@@](C)(c2ccc3cc(OC)ccc3c2)C1=O.
What is the InChIKey of N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide?
The InChIKey is RJTCNQQNRJGAAB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-4-22-17(26)11-23-18(27)12-25-19(28)21(2,24-20(25)29)15-7-5-14-10-16(30-3)8-6-13(14)9-15/h5-10H,4,11-12H2,1-3H3,(H,22,26)(H,23,27)(H,24,29)/t21-/m0/s1.
What are the key properties of N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide?
N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide has a molecular weight of 412.45 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8570806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).