ethyl 2-(3-carbamoylphenoxy)butanoate

C13H17NO4 — CID 64662255

IUPACethyl 2-(3-carbamoylphenoxy)butanoate
SMILESCCOC(=O)C(CC)Oc1cccc(C(N)=O)c1
InChIInChI=1S/C13H17NO4/c1-3-11(13(16)17-4-2)18-10-7-5-6-9(8-10)12(14)15/h5-8,11H,3-4H2,1-2H3,(H2,14,15)
InChIKeyPDUCTZNOCIXDHH-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.51
Rot. Bonds6

About ethyl 2-(3-carbamoylphenoxy)butanoate

ethyl 2-(3-carbamoylphenoxy)butanoate (PubChem CID 64662255) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 2-(3-carbamoylphenoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(3-carbamoylphenoxy)butanoate
PubChem CID64662255
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl 2-(3-carbamoylphenoxy)butanoate
SMILESCCOC(=O)C(CC)Oc1cccc(C(N)=O)c1
InChIInChI=1S/C13H17NO4/c1-3-11(13(16)17-4-2)18-10-7-5-6-9(8-10)12(14)15/h5-8,11H,3-4H2,1-2H3,(H2,14,15)
InChIKeyPDUCTZNOCIXDHH-UHFFFAOYSA-N
XLogP1.51
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(3-bromophenoxy)butanoate
CID 40628551
ethyl 2-(3-tert-butylphenoxy)butanoate
CID 63001634
ethyl 2-[3-[(1R)-1-aminoethyl]phenoxy]butanoate
CID 78996836
3-propoxybenzamide
CID 22311435
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
ethyl 2-[3-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 64669104
3-[(1R)-1-carboxypropoxy]benzoic acid
CID 73424719
ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate
CID 125470264
3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide
CID 53284317
3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 56986321
3-(1-chlorononoxy)benzamide
CID 142780702
ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-carbamoylphenoxy)butanoate?
The IUPAC name of ethyl 2-(3-carbamoylphenoxy)butanoate (CID 64662255) is ethyl 2-(3-carbamoylphenoxy)butanoate.
What is the SMILES notation for ethyl 2-(3-carbamoylphenoxy)butanoate?
The canonical SMILES for ethyl 2-(3-carbamoylphenoxy)butanoate is CCOC(=O)C(CC)Oc1cccc(C(N)=O)c1.
What is the InChIKey of ethyl 2-(3-carbamoylphenoxy)butanoate?
The InChIKey is PDUCTZNOCIXDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-11(13(16)17-4-2)18-10-7-5-6-9(8-10)12(14)15/h5-8,11H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of ethyl 2-(3-carbamoylphenoxy)butanoate?
ethyl 2-(3-carbamoylphenoxy)butanoate has a molecular weight of 251.28 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-carbamoylphenoxy)butanoate is sourced from PubChem (CID 64662255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).