N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide

C28H30N4O4 — CID 70905472

IUPACN-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide
SMILESO=C1c2ccccc2C(=O)N1CCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21
InChIInChI=1S/C28H30N4O4/c33-26-22-7-1-2-8-23(22)27(34)31(26)14-5-13-30-17-19(21-6-3-4-9-24(21)30)18-32(20-10-11-20)28(35)25-16-29-12-15-36-25/h1-4,6-9,17,20,25,29H,5,10-16,18H2
InChIKeyRPIKGHAVHSJHDB-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.81
Rot. Bonds8

About N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide

N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide (PubChem CID 70905472) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide
PubChem CID70905472
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide
SMILESO=C1c2ccccc2C(=O)N1CCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21
InChIInChI=1S/C28H30N4O4/c33-26-22-7-1-2-8-23(22)27(34)31(26)14-5-13-30-17-19(21-6-3-4-9-24(21)30)18-32(20-10-11-20)28(35)25-16-29-12-15-36-25/h1-4,6-9,17,20,25,29H,5,10-16,18H2
InChIKeyRPIKGHAVHSJHDB-UHFFFAOYSA-N
XLogP2.81
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide (CID 70905472) is N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide is O=C1c2ccccc2C(=O)N1CCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21.
What is the InChIKey of N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide?
The InChIKey is RPIKGHAVHSJHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c33-26-22-7-1-2-8-23(22)27(34)31(26)14-5-13-30-17-19(21-6-3-4-9-24(21)30)18-32(20-10-11-20)28(35)25-16-29-12-15-36-25/h1-4,6-9,17,20,25,29H,5,10-16,18H2.
What are the key properties of N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide?
N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 70905472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).