N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide

C19H18N2O4 — CID 977863

IUPACN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C19H18N2O4/c1-11(2)9-17(22)20-12-3-5-13(6-4-12)25-14-7-8-15-16(10-14)19(24)21-18(15)23/h3-8,10-11H,9H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyQMRLGAVMJRMKMO-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.35
Rot. Bonds5

About N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide

N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide (PubChem CID 977863) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide
PubChem CID977863
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C19H18N2O4/c1-11(2)9-17(22)20-12-3-5-13(6-4-12)25-14-7-8-15-16(10-14)19(24)21-18(15)23/h3-8,10-11H,9H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyQMRLGAVMJRMKMO-UHFFFAOYSA-N
XLogP3.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide (CID 977863) is N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide?
The InChIKey is QMRLGAVMJRMKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11(2)9-17(22)20-12-3-5-13(6-4-12)25-14-7-8-15-16(10-14)19(24)21-18(15)23/h3-8,10-11H,9H2,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide?
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide has a molecular weight of 338.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide is sourced from PubChem (CID 977863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).