ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate

C14H20N2O4 — CID 43445676

IUPACethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-4-19-13(17)9-15-14(18)16-11-5-7-12(8-6-11)20-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,15,16,18)
InChIKeyILLQVPWIMRYRSS-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.16
Rot. Bonds6

About ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate

ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate (PubChem CID 43445676) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
PubChem CID43445676
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-4-19-13(17)9-15-14(18)16-11-5-7-12(8-6-11)20-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,15,16,18)
InChIKeyILLQVPWIMRYRSS-UHFFFAOYSA-N
XLogP2.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
CID 127584836
ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate
CID 28710232
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 47415261
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 113213293
2,2-dimethyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 112999062
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate
CID 108880029
methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate
CID 47033094

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate (CID 43445676) is ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate?
The InChIKey is ILLQVPWIMRYRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-19-13(17)9-15-14(18)16-11-5-7-12(8-6-11)20-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,15,16,18).
What are the key properties of ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate?
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate has a molecular weight of 280.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate is sourced from PubChem (CID 43445676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).