methyl 2-(3-ethoxypropylamino)-2-phenylacetate

C14H21NO3 — CID 60647695

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

About methyl 2-(3-ethoxypropylamino)-2-phenylacetate

methyl 2-(3-ethoxypropylamino)-2-phenylacetate (PubChem CID 60647695) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-(3-ethoxypropylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(3-ethoxypropylamino)-2-phenylacetate
PubChem CID60647695
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-(3-ethoxypropylamino)-2-phenylacetate
SMILESCCOCCCNC(C(=O)OC)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-18-11-7-10-15-13(14(16)17-2)12-8-5-4-6-9-12/h4-6,8-9,13,15H,3,7,10-11H2,1-2H3
InChIKeyPIZTZDNJWBTUFN-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-methoxypropylamino)-2-phenylacetate
CID 103600852
ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate
CID 103950593
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
methyl 2-(4-methylsulfanylbutylamino)-2-phenylacetate
CID 103087976
methyl 2-[2-(3-methylbutoxy)ethylamino]-2-phenylacetate
CID 62109331
methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate
CID 82344816
(2S)-2-(3-ethoxypropylcarbamoylamino)-2-phenylacetic acid
CID 103994194
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate
CID 107445566
methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate
CID 11770950
methyl 2-(2-cyclohexylethylamino)-2-phenylacetate
CID 78993355

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethoxypropylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(3-ethoxypropylamino)-2-phenylacetate (CID 60647695) is methyl 2-(3-ethoxypropylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(3-ethoxypropylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(3-ethoxypropylamino)-2-phenylacetate is CCOCCCNC(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(3-ethoxypropylamino)-2-phenylacetate?
The InChIKey is PIZTZDNJWBTUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-11-7-10-15-13(14(16)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 methyl 2-(3-ethoxypropylamino)-2-phenylacetate?
methyl 2-(3-ethoxypropylamino)-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 methyl 2-(3-ethoxypropylamino)-2-phenylacetate is sourced from PubChem (CID 60647695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).