N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C20H28ClN3O4 — CID 98230090

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O
InChIInChI=1S/C20H28ClN3O4/c1-4-5-6-7-8-11-20(2)18(26)24(19(27)23-20)13-17(25)22-15-12-14(21)9-10-16(15)28-3/h9-10,12H,4-8,11,13H2,1-3H3,(H,22,25)(H,23,27)/t20-/m0/s1
InChIKeyZECJCMDAOHWMFP-FQEVSTJZSA-N
MW409.91 g/mol
LogP3.96
Rot. Bonds10

About N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 98230090) has the molecular formula C20H28ClN3O4 and a molecular weight of 409.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID98230090
Molecular FormulaC20H28ClN3O4
Molecular Weight409.91 g/mol
Exact Mass409.18
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O
InChIInChI=1S/C20H28ClN3O4/c1-4-5-6-7-8-11-20(2)18(26)24(19(27)23-20)13-17(25)22-15-12-14(21)9-10-16(15)28-3/h9-10,12H,4-8,11,13H2,1-3H3,(H,22,25)(H,23,27)/t20-/m0/s1
InChIKeyZECJCMDAOHWMFP-FQEVSTJZSA-N
XLogP3.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 98230070
N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41079805
2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 42964405
N-(5-chloro-2-methoxyphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16557024
N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3972786
N-(5-chloro-2-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40987053
N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566403
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 2577245
N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964411
N-(5-chloro-2-methoxyphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703591
N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266305
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 98230090) is N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ZECJCMDAOHWMFP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28ClN3O4/c1-4-5-6-7-8-11-20(2)18(26)24(19(27)23-20)13-17(25)22-15-12-14(21)9-10-16(15)28-3/h9-10,12H,4-8,11,13H2,1-3H3,(H,22,25)(H,23,27)/t20-/m0/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 409.91 g/mol, XLogP of 3.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 98230090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).