2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate

C18H28N2O4 — CID 86937843

IUPAC2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate
SMILESCCNC(=O)NCCOC(=O)C(C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H28N2O4/c1-6-19-17(22)20-10-11-23-16(21)13(2)24-15-9-7-8-14(12-15)18(3,4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H2,19,20,22)
InChIKeyWECPUHOQGSLFGI-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.61
Rot. Bonds7

About 2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate

2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate (PubChem CID 86937843) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate
PubChem CID86937843
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate
SMILESCCNC(=O)NCCOC(=O)C(C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H28N2O4/c1-6-19-17(22)20-10-11-23-16(21)13(2)24-15-9-7-8-14(12-15)18(3,4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H2,19,20,22)
InChIKeyWECPUHOQGSLFGI-UHFFFAOYSA-N
XLogP2.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.61
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

1-[2-(3-tert-butylphenoxy)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 111174535
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea
CID 112972774
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride
CID 119995526
2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
CID 71876541
N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide
CID 120604154
butyl 2-(3-hydroxyphenoxy)propanoate
CID 154641842
methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
CID 64708339
2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
CID 55774306
1-[2-(3-tert-butylphenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112972688
1-[2-(3-tert-butylphenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 112972702
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112972756

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate?
The IUPAC name of 2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate (CID 86937843) is 2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate.
What is the SMILES notation for 2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate?
The canonical SMILES for 2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate is CCNC(=O)NCCOC(=O)C(C)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate?
The InChIKey is WECPUHOQGSLFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-6-19-17(22)20-10-11-23-16(21)13(2)24-15-9-7-8-14(12-15)18(3,4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H2,19,20,22).
What are the key properties of 2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate?
2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate has a molecular weight of 336.43 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate is sourced from PubChem (CID 86937843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).