2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide

C26H36N2O4 — CID 4954241

IUPAC2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)C(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C26H36N2O4/c1-17(2)21-7-11-23(12-8-21)31-19(5)25(29)27-15-16-28-26(30)20(6)32-24-13-9-22(10-14-24)18(3)4/h7-14,17-20H,15-16H2,1-6H3,(H,27,29)(H,28,30)
InChIKeyATNRMQVLNODAJX-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.40
Rot. Bonds11

About 2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide

2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide (PubChem CID 4954241) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
PubChem CID4954241
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)C(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C26H36N2O4/c1-17(2)21-7-11-23(12-8-21)31-19(5)25(29)27-15-16-28-26(30)20(6)32-24-13-9-22(10-14-24)18(3)4/h7-14,17-20H,15-16H2,1-6H3,(H,27,29)(H,28,30)
InChIKeyATNRMQVLNODAJX-UHFFFAOYSA-N
XLogP4.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide
CID 108541568
2-chloroethyl N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]carbamate
CID 108572823
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108541576
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108538670
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108572799
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
tert-butyl N-[3-oxo-3-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethylamino]propyl]carbamate
CID 108919091
2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108541583

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide (CID 4954241) is 2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)C(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide?
The InChIKey is ATNRMQVLNODAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-17(2)21-7-11-23(12-8-21)31-19(5)25(29)27-15-16-28-26(30)20(6)32-24-13-9-22(10-14-24)18(3)4/h7-14,17-20H,15-16H2,1-6H3,(H,27,29)(H,28,30).
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide?
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide has a molecular weight of 440.58 g/mol, XLogP of 4.40, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide is sourced from PubChem (CID 4954241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).