3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide

C28H30N2O3 — CID 57300714

IUPAC3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1cccc(OCCCCCOc2ccc(C#N)cc2)c1)c1ccccc1
InChIInChI=1S/C28H30N2O3/c1-22(2)30(25-11-5-3-6-12-25)28(31)24-10-9-13-27(20-24)33-19-8-4-7-18-32-26-16-14-23(21-29)15-17-26/h3,5-6,9-17,20,22H,4,7-8,18-19H2,1-2H3
InChIKeyPXZDPIJILRMUAR-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.24
Rot. Bonds11

About 3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide

3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide (PubChem CID 57300714) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide
PubChem CID57300714
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1cccc(OCCCCCOc2ccc(C#N)cc2)c1)c1ccccc1
InChIInChI=1S/C28H30N2O3/c1-22(2)30(25-11-5-3-6-12-25)28(31)24-10-9-13-27(20-24)33-19-8-4-7-18-32-26-16-14-23(21-29)15-17-26/h3,5-6,9-17,20,22H,4,7-8,18-19H2,1-2H3
InChIKeyPXZDPIJILRMUAR-UHFFFAOYSA-N
XLogP6.24
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide
CID 67908932
3-[4-(4-propan-2-ylphenoxy)butoxy]benzoic acid
CID 82097997
4-[5-(4-carbamimidoylphenoxy)pentoxy]-2-chloro-N-phenyl-N-propan-2-ylbenzamide
CID 15340522
6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate
CID 110169848
(4-cyanophenyl) 2-(3-heptoxyphenoxy)acetate
CID 4733426
6-(4-cyanophenoxy)hexanoic acid
CID 22388922
3-[3-(4-methylphenoxy)propoxy]benzoic acid
CID 63072752
N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
CID 62982758
4-[3-(3-methylphenoxy)propoxy]benzonitrile
CID 43213922
2-(4-cyanophenoxy)-N-methyl-N-(2-phenoxyethyl)propanamide
CID 51156822
5-(4-cyanophenoxy)pentanoic acid
CID 18767503
(2S)-2-[2-(4-cyanophenoxy)ethoxy]propanoic acid
CID 104875948

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide (CID 57300714) is 3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide is CC(C)N(C(=O)c1cccc(OCCCCCOc2ccc(C#N)cc2)c1)c1ccccc1.
What is the InChIKey of 3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide?
The InChIKey is PXZDPIJILRMUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-22(2)30(25-11-5-3-6-12-25)28(31)24-10-9-13-27(20-24)33-19-8-4-7-18-32-26-16-14-23(21-29)15-17-26/h3,5-6,9-17,20,22H,4,7-8,18-19H2,1-2H3.
What are the key properties of 3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide?
3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide has a molecular weight of 442.56 g/mol, XLogP of 6.24, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 57300714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).