N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

C30H39N3O5 — CID 11713364

IUPACN-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2ccccc2CNC(=O)C2CCC(=O)N2)c(O)c1
InChIInChI=1S/C30H39N3O5/c1-30(2,14-6-5-9-28(36)33-15-17-38-18-16-33)22-10-11-24(26(34)19-22)23-8-4-3-7-21(23)20-31-29(37)25-12-13-27(35)32-25/h3-4,7-8,10-11,19,25,34H,5-6,9,12-18,20H2,1-2H3,(H,31,37)(H,32,35)
InChIKeyZBEMSTVDGYIFKI-UHFFFAOYSA-N
MW521.66 g/mol
LogP3.65
Rot. Bonds10

About N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 11713364) has the molecular formula C30H39N3O5 and a molecular weight of 521.66 g/mol. Its IUPAC name is N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID11713364
Molecular FormulaC30H39N3O5
Molecular Weight521.66 g/mol
Exact Mass521.29
IUPAC NameN-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2ccccc2CNC(=O)C2CCC(=O)N2)c(O)c1
InChIInChI=1S/C30H39N3O5/c1-30(2,14-6-5-9-28(36)33-15-17-38-18-16-33)22-10-11-24(26(34)19-22)23-8-4-3-7-21(23)20-31-29(37)25-12-13-27(35)32-25/h3-4,7-8,10-11,19,25,34H,5-6,9,12-18,20H2,1-2H3,(H,31,37)(H,32,35)
InChIKeyZBEMSTVDGYIFKI-UHFFFAOYSA-N
XLogP3.65
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.66
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 11713364) is N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is CC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2ccccc2CNC(=O)C2CCC(=O)N2)c(O)c1.
What is the InChIKey of N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZBEMSTVDGYIFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O5/c1-30(2,14-6-5-9-28(36)33-15-17-38-18-16-33)22-10-11-24(26(34)19-22)23-8-4-3-7-21(23)20-31-29(37)25-12-13-27(35)32-25/h3-4,7-8,10-11,19,25,34H,5-6,9,12-18,20H2,1-2H3,(H,31,37)(H,32,35).
What are the key properties of N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 521.66 g/mol, XLogP of 3.65, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 11713364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).