N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

C19H26N4O4 — CID 156882689

IUPACN-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILESCNCCCC(=O)Nc1cccc2c1CN(C(C=O)CCC(=O)NC)C2=O
InChIInChI=1S/C19H26N4O4/c1-20-10-4-7-18(26)22-16-6-3-5-14-15(16)11-23(19(14)27)13(12-24)8-9-17(25)21-2/h3,5-6,12-13,20H,4,7-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyRLFINOSUKHJWPP-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.67
Rot. Bonds10

About N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (PubChem CID 156882689) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
PubChem CID156882689
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILESCNCCCC(=O)Nc1cccc2c1CN(C(C=O)CCC(=O)NC)C2=O
InChIInChI=1S/C19H26N4O4/c1-20-10-4-7-18(26)22-16-6-3-5-14-15(16)11-23(19(14)27)13(12-24)8-9-17(25)21-2/h3,5-6,12-13,20H,4,7-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyRLFINOSUKHJWPP-UHFFFAOYSA-N
XLogP0.67
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The IUPAC name of N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (CID 156882689) is N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The canonical SMILES for N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is CNCCCC(=O)Nc1cccc2c1CN(C(C=O)CCC(=O)NC)C2=O.
What is the InChIKey of N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The InChIKey is RLFINOSUKHJWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-20-10-4-7-18(26)22-16-6-3-5-14-15(16)11-23(19(14)27)13(12-24)8-9-17(25)21-2/h3,5-6,12-13,20H,4,7-11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide has a molecular weight of 374.44 g/mol, XLogP of 0.67, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is sourced from PubChem (CID 156882689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).