ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate

C13H18N2O4 — CID 61340701

IUPACethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C13H18N2O4/c1-3-19-12(17)8-14-13(18)15-11-6-4-10(5-7-11)9(2)16/h4-7,9,16H,3,8H2,1-2H3,(H2,14,15,18)
InChIKeyHNCCWKQPVORPSN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.42
Rot. Bonds5

About ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate

ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate (PubChem CID 61340701) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
PubChem CID61340701
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C13H18N2O4/c1-3-19-12(17)8-14-13(18)15-11-6-4-10(5-7-11)9(2)16/h4-7,9,16H,3,8H2,1-2H3,(H2,14,15,18)
InChIKeyHNCCWKQPVORPSN-UHFFFAOYSA-N
XLogP1.42
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676
1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 114943941
methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
CID 127584836
1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 61347612
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
CID 60706555
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
CID 43385057
ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate
CID 62813455
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61341241
ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate
CID 107589554

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate?
The IUPAC name of ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate (CID 61340701) is ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1ccc(C(C)O)cc1.
What is the InChIKey of ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate?
The InChIKey is HNCCWKQPVORPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-19-12(17)8-14-13(18)15-11-6-4-10(5-7-11)9(2)16/h4-7,9,16H,3,8H2,1-2H3,(H2,14,15,18).
What are the key properties of ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate?
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate has a molecular weight of 266.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate is sourced from PubChem (CID 61340701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).