ethyl 2-(3-methoxypropylamino)-2-phenylacetate

C14H21NO3 — CID 103600852

IUPACethyl 2-(3-methoxypropylamino)-2-phenylacetate
SMILESCCOC(=O)C(NCCCOC)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-18-14(16)13(15-10-7-11-17-2)12-8-5-4-6-9-12/h4-6,8-9,13,15H,3,7,10-11H2,1-2H3
InChIKeyAREICDKIBLLUMO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.92
Rot. Bonds8

About ethyl 2-(3-methoxypropylamino)-2-phenylacetate

ethyl 2-(3-methoxypropylamino)-2-phenylacetate (PubChem CID 103600852) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(3-methoxypropylamino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(3-methoxypropylamino)-2-phenylacetate
PubChem CID103600852
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-(3-methoxypropylamino)-2-phenylacetate
SMILESCCOC(=O)C(NCCCOC)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-18-14(16)13(15-10-7-11-17-2)12-8-5-4-6-9-12/h4-6,8-9,13,15H,3,7,10-11H2,1-2H3
InChIKeyAREICDKIBLLUMO-UHFFFAOYSA-N
XLogP1.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate
CID 103950593
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
methyl 2-(3-ethoxypropylamino)-2-phenylacetate
CID 60647695
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate
CID 82344816
ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate
CID 119706676
2-(butylamino)-2-phenylacetamide
CID 14569005
ethyl 3-(3-methoxypropylamino)-4-oxo-4-phenylbutanoate
CID 82322006
2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84747614
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxypropylamino)-2-phenylacetate?
The IUPAC name of ethyl 2-(3-methoxypropylamino)-2-phenylacetate (CID 103600852) is ethyl 2-(3-methoxypropylamino)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(3-methoxypropylamino)-2-phenylacetate?
The canonical SMILES for ethyl 2-(3-methoxypropylamino)-2-phenylacetate is CCOC(=O)C(NCCCOC)c1ccccc1.
What is the InChIKey of ethyl 2-(3-methoxypropylamino)-2-phenylacetate?
The InChIKey is AREICDKIBLLUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-14(16)13(15-10-7-11-17-2)12-8-5-4-6-9-12/h4-6,8-9,13,15H,3,7,10-11H2,1-2H3.
What are the key properties of ethyl 2-(3-methoxypropylamino)-2-phenylacetate?
ethyl 2-(3-methoxypropylamino)-2-phenylacetate has a molecular weight of 251.33 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxypropylamino)-2-phenylacetate is sourced from PubChem (CID 103600852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).