N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide

C19H18N2O4 — CID 918540

IUPACN-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(OC)c1
InChIInChI=1S/C19H18N2O4/c1-3-6-17(22)20-12-9-10-15(16(11-12)25-2)21-18(23)13-7-4-5-8-14(13)19(21)24/h4-5,7-11H,3,6H2,1-2H3,(H,20,22)
InChIKeyJKYRINGHGCOWCB-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.23
Rot. Bonds5

About N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide

N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide (PubChem CID 918540) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide
PubChem CID918540
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(OC)c1
InChIInChI=1S/C19H18N2O4/c1-3-6-17(22)20-12-9-10-15(16(11-12)25-2)21-18(23)13-7-4-5-8-14(13)19(21)24/h4-5,7-11H,3,6H2,1-2H3,(H,20,22)
InChIKeyJKYRINGHGCOWCB-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide
CID 22776594
3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide
CID 22781355
N-[[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]carbamothioyl]naphthalene-2-carboxamide
CID 23098051
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-methylphenyl)propanamide
CID 110776420
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56507447
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide
CID 1299134
N-[1-(2-methoxyphenyl)benzimidazol-5-yl]butanamide
CID 2974525
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554664
N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
N-(3-chloro-4-methoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591915
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-fluoro-4-methoxybenzamide
CID 78878772

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide (CID 918540) is N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide is CCCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(OC)c1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide?
The InChIKey is JKYRINGHGCOWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-6-17(22)20-12-9-10-15(16(11-12)25-2)21-18(23)13-7-4-5-8-14(13)19(21)24/h4-5,7-11H,3,6H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide?
N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide has a molecular weight of 338.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide is sourced from PubChem (CID 918540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).