N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

C24H35N3O4 — CID 170098970

IUPACN-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2cc(OC3CCCCC3NCC(C)C)ccc2C1=O
InChIInChI=1S/C24H35N3O4/c1-16(2)14-26-20-7-4-5-9-22(20)31-18-10-11-19-17(13-18)15-27(24(19)30)21(8-6-12-28)23(29)25-3/h10-13,16,20-22,26H,4-9,14-15H2,1-3H3,(H,25,29)
InChIKeyDKNCGAMNGUBGCZ-UHFFFAOYSA-N
MW429.56 g/mol
LogP2.67
Rot. Bonds10

About N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (PubChem CID 170098970) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
PubChem CID170098970
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC NameN-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2cc(OC3CCCCC3NCC(C)C)ccc2C1=O
InChIInChI=1S/C24H35N3O4/c1-16(2)14-26-20-7-4-5-9-22(20)31-18-10-11-19-17(13-18)15-27(24(19)30)21(8-6-12-28)23(29)25-3/h10-13,16,20-22,26H,4-9,14-15H2,1-3H3,(H,25,29)
InChIKeyDKNCGAMNGUBGCZ-UHFFFAOYSA-N
XLogP2.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The IUPAC name of N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (CID 170098970) is N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The canonical SMILES for N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is CNC(=O)C(CCC=O)N1Cc2cc(OC3CCCCC3NCC(C)C)ccc2C1=O.
What is the InChIKey of N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The InChIKey is DKNCGAMNGUBGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-16(2)14-26-20-7-4-5-9-22(20)31-18-10-11-19-17(13-18)15-27(24(19)30)21(8-6-12-28)23(29)25-3/h10-13,16,20-22,26H,4-9,14-15H2,1-3H3,(H,25,29).
What are the key properties of N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide has a molecular weight of 429.56 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is sourced from PubChem (CID 170098970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).