N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide

C23H27N3O6 — CID 4855014

IUPACN-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C23H27N3O6/c1-14(27)24-16-6-8-19(30-2)17(12-16)25-18-13-22(28)26(23(18)29)10-9-15-5-7-20(31-3)21(11-15)32-4/h5-8,11-12,18,25H,9-10,13H2,1-4H3,(H,24,27)
InChIKeyXACUWODWHQHCMX-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.45
Rot. Bonds9

About N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide

N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide (PubChem CID 4855014) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
PubChem CID4855014
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC NameN-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C23H27N3O6/c1-14(27)24-16-6-8-19(30-2)17(12-16)25-18-13-22(28)26(23(18)29)10-9-15-5-7-20(31-3)21(11-15)32-4/h5-8,11-12,18,25H,9-10,13H2,1-4H3,(H,24,27)
InChIKeyXACUWODWHQHCMX-UHFFFAOYSA-N
XLogP2.45
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-4-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 41391246
2-[4-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 2085445
N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 2439910
N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 7928181
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3755052
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 10870149
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2254425
(3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione
CID 51613691
(3S)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7928103
(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7928102
(3S)-3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 1119989
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-bis(trimethylsilyloxy)pyrrolidine-2,5-dione
CID 11236001

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide (CID 4855014) is N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NC1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O.
What is the InChIKey of N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide?
The InChIKey is XACUWODWHQHCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-14(27)24-16-6-8-19(30-2)17(12-16)25-18-13-22(28)26(23(18)29)10-9-15-5-7-20(31-3)21(11-15)32-4/h5-8,11-12,18,25H,9-10,13H2,1-4H3,(H,24,27).
What are the key properties of N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide?
N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide has a molecular weight of 441.48 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 4855014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).