N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide

C25H26N2O4 — CID 132665568

IUPACN-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
SMILESCOc1ccc(OCC(C)NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C25H26N2O4/c1-17(16-31-20-13-11-19(30-2)12-14-20)26-23(28)10-5-15-27-22-9-4-7-18-6-3-8-21(24(18)22)25(27)29/h3-4,6-9,11-14,17H,5,10,15-16H2,1-2H3,(H,26,28)
InChIKeyYNYUMZDVOMVMHU-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.17
Rot. Bonds9

About N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide

N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide (PubChem CID 132665568) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
PubChem CID132665568
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
SMILESCOc1ccc(OCC(C)NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C25H26N2O4/c1-17(16-31-20-13-11-19(30-2)12-14-20)26-23(28)10-5-15-27-22-9-4-7-18-6-3-8-21(24(18)22)25(27)29/h3-4,6-9,11-14,17H,5,10,15-16H2,1-2H3,(H,26,28)
InChIKeyYNYUMZDVOMVMHU-UHFFFAOYSA-N
XLogP4.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide?
The IUPAC name of N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide (CID 132665568) is N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide.
What is the SMILES notation for N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide?
The canonical SMILES for N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide is COc1ccc(OCC(C)NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1.
What is the InChIKey of N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide?
The InChIKey is YNYUMZDVOMVMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17(16-31-20-13-11-19(30-2)12-14-20)26-23(28)10-5-15-27-22-9-4-7-18-6-3-8-21(24(18)22)25(27)29/h3-4,6-9,11-14,17H,5,10,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide?
N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide has a molecular weight of 418.49 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide is sourced from PubChem (CID 132665568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).