ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate

C17H27NO3 — CID 103950593

IUPACethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate
SMILESCCOC(=O)C(NCCCOCC(C)C)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-4-21-17(19)16(15-9-6-5-7-10-15)18-11-8-12-20-13-14(2)3/h5-7,9-10,14,16,18H,4,8,11-13H2,1-3H3
InChIKeyPLUBJBJZBKVZOO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.94
Rot. Bonds10

About ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate

ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate (PubChem CID 103950593) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate
PubChem CID103950593
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate
SMILESCCOC(=O)C(NCCCOCC(C)C)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-4-21-17(19)16(15-9-6-5-7-10-15)18-11-8-12-20-13-14(2)3/h5-7,9-10,14,16,18H,4,8,11-13H2,1-3H3
InChIKeyPLUBJBJZBKVZOO-UHFFFAOYSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.94
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
methyl 2-(3-ethoxypropylamino)-2-phenylacetate
CID 60647695
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
2-(butylamino)-2-phenylacetamide
CID 14569005
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine
CID 43770151
methyl 2-[2-(3-methylbutoxy)ethylamino]-2-phenylacetate
CID 62109331
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
(2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid
CID 103996411

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate?
The IUPAC name of ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate (CID 103950593) is ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate is CCOC(=O)C(NCCCOCC(C)C)c1ccccc1.
What is the InChIKey of ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate?
The InChIKey is PLUBJBJZBKVZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-21-17(19)16(15-9-6-5-7-10-15)18-11-8-12-20-13-14(2)3/h5-7,9-10,14,16,18H,4,8,11-13H2,1-3H3.
What are the key properties of ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate?
ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate has a molecular weight of 293.41 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate is sourced from PubChem (CID 103950593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).