methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate

C14H20N2O4 — CID 112728907

IUPACmethyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
SMILESCCN(CC)C(=O)Nc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C14H20N2O4/c1-4-16(5-2)14(18)15-11-7-6-8-12(9-11)20-10-13(17)19-3/h6-9H,4-5,10H2,1-3H3,(H,15,18)
InChIKeyFSDKNGFHKSMGNY-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.11
Rot. Bonds6

About methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate

methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate (PubChem CID 112728907) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
PubChem CID112728907
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
SMILESCCN(CC)C(=O)Nc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C14H20N2O4/c1-4-16(5-2)14(18)15-11-7-6-8-12(9-11)20-10-13(17)19-3/h6-9H,4-5,10H2,1-3H3,(H,15,18)
InChIKeyFSDKNGFHKSMGNY-UHFFFAOYSA-N
XLogP2.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea
CID 60577561
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130
2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
methyl 2-[3-(but-3-ynoylamino)phenoxy]acetate
CID 114028677
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate
CID 60750976
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride
CID 119284132
methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
CID 17341883

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate (CID 112728907) is methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate is CCN(CC)C(=O)Nc1cccc(OCC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate?
The InChIKey is FSDKNGFHKSMGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-16(5-2)14(18)15-11-7-6-8-12(9-11)20-10-13(17)19-3/h6-9H,4-5,10H2,1-3H3,(H,15,18).
What are the key properties of methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate?
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate has a molecular weight of 280.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate is sourced from PubChem (CID 112728907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).