N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C19H18N2O4 — CID 30426218

IUPACN-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCOc1cccc(NC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)c1
InChIInChI=1S/C19H18N2O4/c1-12-6-7-15-16(10-12)19(24)21(18(15)23)9-8-17(22)20-13-4-3-5-14(11-13)25-2/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)
InChIKeyLHBQPHLWZRCJRN-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.63
Rot. Bonds5

About N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 30426218) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID30426218
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCOc1cccc(NC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)c1
InChIInChI=1S/C19H18N2O4/c1-12-6-7-15-16(10-12)19(24)21(18(15)23)9-8-17(22)20-13-4-3-5-14(11-13)25-2/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)
InChIKeyLHBQPHLWZRCJRN-UHFFFAOYSA-N
XLogP2.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880
N-(2-methoxy-5-methylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30430739
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 29371362
N-(3,4-dimethoxyphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27537877
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
CID 30394539
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 47776606
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30444435
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-methylphenyl)propanamide
CID 110776420
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 55797969

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 30426218) is N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is COc1cccc(NC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is LHBQPHLWZRCJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-6-7-15-16(10-12)19(24)21(18(15)23)9-8-17(22)20-13-4-3-5-14(11-13)25-2/h3-7,10-11H,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 338.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 30426218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).