[2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate

C18H24N2O5 — CID 7198067

IUPAC[2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
SMILESCCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NC(N)=O)cc1
InChIInChI=1S/C18H24N2O5/c1-2-3-4-5-13-6-8-14(9-7-13)15(21)10-11-17(23)25-12-16(22)20-18(19)24/h6-9H,2-5,10-12H2,1H3,(H3,19,20,22,24)
InChIKeyGZUCCJYWBHSXCW-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.12
Rot. Bonds10

About [2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate

[2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate (PubChem CID 7198067) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
PubChem CID7198067
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
SMILESCCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NC(N)=O)cc1
InChIInChI=1S/C18H24N2O5/c1-2-3-4-5-13-6-8-14(9-7-13)15(21)10-11-17(23)25-12-16(22)20-18(19)24/h6-9H,2-5,10-12H2,1H3,(H3,19,20,22,24)
InChIKeyGZUCCJYWBHSXCW-UHFFFAOYSA-N
XLogP2.12
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.12
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-(ethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 7198076
ethyl 4-oxo-4-(4-pentylphenyl)butanoate
CID 24727550
[2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 7198194
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 4273498
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 42981679
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 4298194
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 4969587
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 55454084
4-(4-butylphenyl)-4-oxobutanamide
CID 47319697
4-(4-heptylphenyl)-4-oxobutanoic acid
CID 2801472
(2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 7222142
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7227164

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate (CID 7198067) is [2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate is CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NC(N)=O)cc1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
The InChIKey is GZUCCJYWBHSXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-2-3-4-5-13-6-8-14(9-7-13)15(21)10-11-17(23)25-12-16(22)20-18(19)24/h6-9H,2-5,10-12H2,1H3,(H3,19,20,22,24).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
[2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate has a molecular weight of 348.40 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate is sourced from PubChem (CID 7198067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).