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

C22H28N2O4 — CID 108541576

IUPACN-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)COc1ccccc1
InChIInChI=1S/C22H28N2O4/c1-16(2)18-9-11-20(12-10-18)28-17(3)22(26)24-14-13-23-21(25)15-27-19-7-5-4-6-8-19/h4-12,16-17H,13-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyILZUNDLFHCNJAR-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.89
Rot. Bonds10

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

N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 108541576) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID108541576
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)COc1ccccc1
InChIInChI=1S/C22H28N2O4/c1-16(2)18-9-11-20(12-10-18)28-17(3)22(26)24-14-13-23-21(25)15-27-19-7-5-4-6-8-19/h4-12,16-17H,13-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyILZUNDLFHCNJAR-UHFFFAOYSA-N
XLogP2.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.89
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

2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide
CID 4929692
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108572799
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108538670
(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241096

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 108541576) is N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)COc1ccccc1.
What is the InChIKey of N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is ILZUNDLFHCNJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16(2)18-9-11-20(12-10-18)28-17(3)22(26)24-14-13-23-21(25)15-27-19-7-5-4-6-8-19/h4-12,16-17H,13-15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 384.48 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108541576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).