2-methoxyethyl 3-(phenylcarbamoylamino)propanoate

C13H18N2O4 — CID 42242981

IUPAC2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
SMILESCOCCOC(=O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O4/c1-18-9-10-19-12(16)7-8-14-13(17)15-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,14,15,17)
InChIKeySDTUAQHNYROCCR-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.39
Rot. Bonds7

About 2-methoxyethyl 3-(phenylcarbamoylamino)propanoate

2-methoxyethyl 3-(phenylcarbamoylamino)propanoate (PubChem CID 42242981) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methoxyethyl 3-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
PubChem CID42242981
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
SMILESCOCCOC(=O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O4/c1-18-9-10-19-12(16)7-8-14-13(17)15-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,14,15,17)
InChIKeySDTUAQHNYROCCR-UHFFFAOYSA-N
XLogP1.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.39
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

[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805374
2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate
CID 7805347
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
CID 103875503
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
2-(2-methoxyethoxy)ethyl 4-anilinobutanoate
CID 104563449
[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805318
(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate
CID 7805492
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805429
3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
CID 102907015
N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113053321

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-(phenylcarbamoylamino)propanoate?
The IUPAC name of 2-methoxyethyl 3-(phenylcarbamoylamino)propanoate (CID 42242981) is 2-methoxyethyl 3-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for 2-methoxyethyl 3-(phenylcarbamoylamino)propanoate?
The canonical SMILES for 2-methoxyethyl 3-(phenylcarbamoylamino)propanoate is COCCOC(=O)CCNC(=O)Nc1ccccc1.
What is the InChIKey of 2-methoxyethyl 3-(phenylcarbamoylamino)propanoate?
The InChIKey is SDTUAQHNYROCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-9-10-19-12(16)7-8-14-13(17)15-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,14,15,17).
What are the key properties of 2-methoxyethyl 3-(phenylcarbamoylamino)propanoate?
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate has a molecular weight of 266.30 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 42242981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).