4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide

C15H22N2O3 — CID 108541761

IUPAC4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
SMILESCCC(=O)NCCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-14(18)16-10-11-17-15(19)9-6-12-20-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyCGEVGLSLGDXGOJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.49
Rot. Bonds9

About 4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide

4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide (PubChem CID 108541761) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
PubChem CID108541761
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
SMILESCCC(=O)NCCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-14(18)16-10-11-17-15(19)9-6-12-20-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyCGEVGLSLGDXGOJ-UHFFFAOYSA-N
XLogP1.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108538068
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541759
5-bromo-N-(3-phenoxypropyl)pentanamide
CID 107909983
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
CID 108934823

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide?
The IUPAC name of 4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide (CID 108541761) is 4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide.
What is the SMILES notation for 4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide?
The canonical SMILES for 4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide is CCC(=O)NCCNC(=O)CCCOc1ccccc1.
What is the InChIKey of 4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide?
The InChIKey is CGEVGLSLGDXGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-14(18)16-10-11-17-15(19)9-6-12-20-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide?
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide has a molecular weight of 278.35 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide is sourced from PubChem (CID 108541761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).