N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide

C25H29N3O2 — CID 143994676

IUPACN,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide
SMILESCCN(CC)C(=O)CCC1(c2ccc(C)cc2)c2c(OC)cccc2-c2nccn21
InChIInChI=1S/C25H29N3O2/c1-5-27(6-2)22(29)14-15-25(19-12-10-18(3)11-13-19)23-20(8-7-9-21(23)30-4)24-26-16-17-28(24)25/h7-13,16-17H,5-6,14-15H2,1-4H3
InChIKeyGUBJMHUJNDFPJM-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.62
Rot. Bonds7

About N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide

N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide (PubChem CID 143994676) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide
PubChem CID143994676
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide
SMILESCCN(CC)C(=O)CCC1(c2ccc(C)cc2)c2c(OC)cccc2-c2nccn21
InChIInChI=1S/C25H29N3O2/c1-5-27(6-2)22(29)14-15-25(19-12-10-18(3)11-13-19)23-20(8-7-9-21(23)30-4)24-26-16-17-28(24)25/h7-13,16-17H,5-6,14-15H2,1-4H3
InChIKeyGUBJMHUJNDFPJM-UHFFFAOYSA-N
XLogP4.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 70885230
1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 58415521
1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 46204641
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2019912
2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole
CID 110530000
N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide
CID 82240097
3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 58415605
N,N-diethyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2274312
ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
CID 15681324

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide (CID 143994676) is N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide is CCN(CC)C(=O)CCC1(c2ccc(C)cc2)c2c(OC)cccc2-c2nccn21.
What is the InChIKey of N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide?
The InChIKey is GUBJMHUJNDFPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-5-27(6-2)22(29)14-15-25(19-12-10-18(3)11-13-19)23-20(8-7-9-21(23)30-4)24-26-16-17-28(24)25/h7-13,16-17H,5-6,14-15H2,1-4H3.
What are the key properties of N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide?
N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide has a molecular weight of 403.53 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide is sourced from PubChem (CID 143994676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).