[2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate

C18H26N2O5 — CID 55418114

IUPAC[2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
SMILESCCCCNC(=O)NC(=O)COC(=O)CCCOc1cccc(C)c1
InChIInChI=1S/C18H26N2O5/c1-3-4-10-19-18(23)20-16(21)13-25-17(22)9-6-11-24-15-8-5-7-14(2)12-15/h5,7-8,12H,3-4,6,9-11,13H2,1-2H3,(H2,19,20,21,23)
InChIKeyORZPQZAEBGPFHE-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.32
Rot. Bonds10

About [2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate

[2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate (PubChem CID 55418114) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate.

Molecular Properties

Compound Name[2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
PubChem CID55418114
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name[2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
SMILESCCCCNC(=O)NC(=O)COC(=O)CCCOc1cccc(C)c1
InChIInChI=1S/C18H26N2O5/c1-3-4-10-19-18(23)20-16(21)13-25-17(22)9-6-11-24-15-8-5-7-14(2)12-15/h5,7-8,12H,3-4,6,9-11,13H2,1-2H3,(H2,19,20,21,23)
InChIKeyORZPQZAEBGPFHE-UHFFFAOYSA-N
XLogP2.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148075
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(3-methylphenoxy)butanoate
CID 7148006
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139525
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600442
[2-(3-chloroanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7167454
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7147989
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(3-methylphenoxy)butanoate
CID 7167462
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(3-methylphenoxy)butanoate
CID 7167460
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148015
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148116
2-(3-methylphenoxy)ethyl butanoate
CID 13247559

Frequently Asked Questions

What is the IUPAC name of [2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate?
The IUPAC name of [2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate (CID 55418114) is [2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate.
What is the SMILES notation for [2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate?
The canonical SMILES for [2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate is CCCCNC(=O)NC(=O)COC(=O)CCCOc1cccc(C)c1.
What is the InChIKey of [2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate?
The InChIKey is ORZPQZAEBGPFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-3-4-10-19-18(23)20-16(21)13-25-17(22)9-6-11-24-15-8-5-7-14(2)12-15/h5,7-8,12H,3-4,6,9-11,13H2,1-2H3,(H2,19,20,21,23).
What are the key properties of [2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate?
[2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate has a molecular weight of 350.42 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate is sourced from PubChem (CID 55418114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).