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

C20H29N3O4 — CID 98230070

IUPAC2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O
InChIInChI=1S/C20H29N3O4/c1-4-5-6-7-10-13-20(2)18(25)23(19(26)22-20)14-17(24)21-15-11-8-9-12-16(15)27-3/h8-9,11-12H,4-7,10,13-14H2,1-3H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeyRBQYWZCRRFYWCB-FQEVSTJZSA-N
MW375.47 g/mol
LogP3.30
Rot. Bonds10

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

2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 98230070) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID98230070
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O
InChIInChI=1S/C20H29N3O4/c1-4-5-6-7-10-13-20(2)18(25)23(19(26)22-20)14-17(24)21-15-11-8-9-12-16(15)27-3/h8-9,11-12H,4-7,10,13-14H2,1-3H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeyRBQYWZCRRFYWCB-FQEVSTJZSA-N
XLogP3.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.30
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

N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 98230090
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 3899651
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7622152
N-(2-methoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582081
2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230058
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230060
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2435702
N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964411
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
N-[2-(difluoromethoxy)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804584
N-(4-ethoxyphenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4810358
N-(2-methoxyphenyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91892504

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 98230070) is 2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide is CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O.
What is the InChIKey of 2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is RBQYWZCRRFYWCB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-5-6-7-10-13-20(2)18(25)23(19(26)22-20)14-17(24)21-15-11-8-9-12-16(15)27-3/h8-9,11-12H,4-7,10,13-14H2,1-3H3,(H,21,24)(H,22,26)/t20-/m0/s1.
What are the key properties of 2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 98230070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).