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

C22H24N2O5 — CID 51192224

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCOc1ccc(CNC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1OC
InChIInChI=1S/C22H24N2O5/c1-14-6-8-16-17(11-14)22(27)24(21(16)26)10-4-5-20(25)23-13-15-7-9-18(28-2)19(12-15)29-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,23,25)
InChIKeyVNMZIXVGSMUPRP-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.70
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 51192224) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
PubChem CID51192224
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCOc1ccc(CNC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1OC
InChIInChI=1S/C22H24N2O5/c1-14-6-8-16-17(11-14)22(27)24(21(16)26)10-4-5-20(25)23-13-15-7-9-18(28-2)19(12-15)29-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,23,25)
InChIKeyVNMZIXVGSMUPRP-UHFFFAOYSA-N
XLogP2.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.70
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-[(3,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55577207
N-(3,4-dimethoxyphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27537877
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55388741
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide
CID 55539298
N-(2-methoxy-5-methylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30430739
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32586251
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 97199289
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55797930
3-(1,3-dioxoisoindol-2-yl)-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propanamide
CID 55725283
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
CID 46475036
N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27770580

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (CID 51192224) is N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is COc1ccc(CNC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is VNMZIXVGSMUPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-14-6-8-16-17(11-14)22(27)24(21(16)26)10-4-5-20(25)23-13-15-7-9-18(28-2)19(12-15)29-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,23,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 396.44 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 51192224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).