2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide

C27H29N3O5 — CID 45206761

IUPAC2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCOCCCN1C(=O)CC(CC(=O)NCc2cc(-c3ccccc3)on2)(c2ccccc2C)C1=O
InChIInChI=1S/C27H29N3O5/c1-19-9-6-7-12-22(19)27(17-25(32)30(26(27)33)13-8-14-34-2)16-24(31)28-18-21-15-23(35-29-21)20-10-4-3-5-11-20/h3-7,9-12,15H,8,13-14,16-18H2,1-2H3,(H,28,31)
InChIKeyBFPFHJMCVPTLHV-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.39
Rot. Bonds10

About 2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide

2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide (PubChem CID 45206761) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
PubChem CID45206761
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCOCCCN1C(=O)CC(CC(=O)NCc2cc(-c3ccccc3)on2)(c2ccccc2C)C1=O
InChIInChI=1S/C27H29N3O5/c1-19-9-6-7-12-22(19)27(17-25(32)30(26(27)33)13-8-14-34-2)16-24(31)28-18-21-15-23(35-29-21)20-10-4-3-5-11-20/h3-7,9-12,15H,8,13-14,16-18H2,1-2H3,(H,28,31)
InChIKeyBFPFHJMCVPTLHV-UHFFFAOYSA-N
XLogP3.39
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide
CID 45239840
2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 45175049
2-[(3S)-1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 42168387
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-[(3S)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 42479262
2-[(3S)-1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]acetamide
CID 42421214
N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110619673
(2S)-2-[[2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]amino]-4-methylpentanamide
CID 45169809
N-[3-(benzotriazol-1-yl)propyl]-2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetamide
CID 42454984
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 125168921
2-[3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 45184895
2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 26283222

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide (CID 45206761) is 2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide is COCCCN1C(=O)CC(CC(=O)NCc2cc(-c3ccccc3)on2)(c2ccccc2C)C1=O.
What is the InChIKey of 2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
The InChIKey is BFPFHJMCVPTLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-19-9-6-7-12-22(19)27(17-25(32)30(26(27)33)13-8-14-34-2)16-24(31)28-18-21-15-23(35-29-21)20-10-4-3-5-11-20/h3-7,9-12,15H,8,13-14,16-18H2,1-2H3,(H,28,31).
What are the key properties of 2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide has a molecular weight of 475.55 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide is sourced from PubChem (CID 45206761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).