2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide

C23H34N4O3 — CID 112835371

IUPAC2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCC1CN(Cc2ccc(CNC(=O)N3CCCC3C(=O)NC3CC3)cc2)CC(C)O1
InChIInChI=1S/C23H34N4O3/c1-16-13-26(14-17(2)30-16)15-19-7-5-18(6-8-19)12-24-23(29)27-11-3-4-21(27)22(28)25-20-9-10-20/h5-8,16-17,20-21H,3-4,9-15H2,1-2H3,(H,24,29)(H,25,28)
InChIKeySFESFQVCAKUNCG-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.25
Rot. Bonds6

About 2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide

2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 112835371) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID112835371
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCC1CN(Cc2ccc(CNC(=O)N3CCCC3C(=O)NC3CC3)cc2)CC(C)O1
InChIInChI=1S/C23H34N4O3/c1-16-13-26(14-17(2)30-16)15-19-7-5-18(6-8-19)12-24-23(29)27-11-3-4-21(27)22(28)25-20-9-10-20/h5-8,16-17,20-21H,3-4,9-15H2,1-2H3,(H,24,29)(H,25,28)
InChIKeySFESFQVCAKUNCG-UHFFFAOYSA-N
XLogP2.25
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide (CID 112835371) is 2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide is CC1CN(Cc2ccc(CNC(=O)N3CCCC3C(=O)NC3CC3)cc2)CC(C)O1.
What is the InChIKey of 2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is SFESFQVCAKUNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-16-13-26(14-17(2)30-16)15-19-7-5-18(6-8-19)12-24-23(29)27-11-3-4-21(27)22(28)25-20-9-10-20/h5-8,16-17,20-21H,3-4,9-15H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide?
2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 414.55 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 112835371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).