N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

C23H26N2O5 — CID 55388741

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)c1
InChIInChI=1S/C23H26N2O5/c1-14-7-9-17-19(12-14)23(28)25(22(17)27)11-5-6-21(26)24-15(2)18-13-16(29-3)8-10-20(18)30-4/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,24,26)
InChIKeyXEXAOWCIBWCAMA-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.27
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 55388741) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
PubChem CID55388741
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)c1
InChIInChI=1S/C23H26N2O5/c1-14-7-9-17-19(12-14)23(28)25(22(17)27)11-5-6-21(26)24-15(2)18-13-16(29-3)8-10-20(18)30-4/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,24,26)
InChIKeyXEXAOWCIBWCAMA-UHFFFAOYSA-N
XLogP3.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017569
N-(3,4-dimethoxyphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27537877
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 31751278
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149
N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 51192224
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131949482
N-[(3,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55577207
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butanamide
CID 94463951
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 51277021
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide
CID 46828593
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (CID 55388741) is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is COc1ccc(OC)c(C(C)NC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is XEXAOWCIBWCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-14-7-9-17-19(12-14)23(28)25(22(17)27)11-5-6-21(26)24-15(2)18-13-16(29-3)8-10-20(18)30-4/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 410.47 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 55388741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).