N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C21H22N4O6 — CID 55685063

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccccc1CN(C)C(=O)CN1C(=O)NC(C)(c2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C21H22N4O6/c1-21(15-8-6-9-16(11-15)25(29)30)19(27)24(20(28)22-21)13-18(26)23(2)12-14-7-4-5-10-17(14)31-3/h4-11H,12-13H2,1-3H3,(H,22,28)
InChIKeyDEGUBOOGQIQYKO-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.03
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55685063) has the molecular formula C21H22N4O6 and a molecular weight of 426.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID55685063
Molecular FormulaC21H22N4O6
Molecular Weight426.43 g/mol
Exact Mass426.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccccc1CN(C)C(=O)CN1C(=O)NC(C)(c2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C21H22N4O6/c1-21(15-8-6-9-16(11-15)25(29)30)19(27)24(20(28)22-21)13-18(26)23(2)12-14-7-4-5-10-17(14)31-3/h4-11H,12-13H2,1-3H3,(H,22,28)
InChIKeyDEGUBOOGQIQYKO-UHFFFAOYSA-N
XLogP2.03
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 56684725
N,N-dimethyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075598
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 55356659
N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 43075515
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55684983
N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075508
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24546622
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7809240
N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075658
N-[2,6-di(propan-2-yl)phenyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075611
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55385186
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 24983201

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55685063) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccccc1CN(C)C(=O)CN1C(=O)NC(C)(c2cccc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DEGUBOOGQIQYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6/c1-21(15-8-6-9-16(11-15)25(29)30)19(27)24(20(28)22-21)13-18(26)23(2)12-14-7-4-5-10-17(14)31-3/h4-11H,12-13H2,1-3H3,(H,22,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 426.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55685063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).