2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate

C17H25NO3 — CID 163977114

IUPAC2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate
SMILESCC(C)(C)NCCOCCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H25NO3/c1-17(2,3)18-11-12-20-13-14-21-16(19)10-9-15-7-5-4-6-8-15/h4-10,18H,11-14H2,1-3H3/b10-9+
InChIKeySVDNBNWIOSPZMT-MDZDMXLPSA-N
MW291.39 g/mol
LogP2.65
Rot. Bonds8

About 2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate

2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate (PubChem CID 163977114) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate
PubChem CID163977114
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate
SMILESCC(C)(C)NCCOCCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H25NO3/c1-17(2,3)18-11-12-20-13-14-21-16(19)10-9-15-7-5-4-6-8-15/h4-10,18H,11-14H2,1-3H3/b10-9+
InChIKeySVDNBNWIOSPZMT-MDZDMXLPSA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl (2E,4E)-5-phenylpenta-2,4-dienoate
CID 169083647
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
2-(3-phenylprop-2-enoyloxy)ethyl 2,2-dimethylbutanoate
CID 74046505
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
[2-(tert-butylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2508922
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl (E)-3-(4-acetamidophenyl)prop-2-enoate
CID 155475619
2-ethenoxyethyl 3-phenylprop-2-enoate
CID 54391512
2-methylidene-4-(3-phenylprop-2-enoyloxy)butanoic acid
CID 57040443
2-(3-methylbutylamino)ethyl (E)-3-phenylprop-2-enoate
CID 82532023
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098
2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate
CID 172634996
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate?
The IUPAC name of 2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate (CID 163977114) is 2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for 2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for 2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate is CC(C)(C)NCCOCCOC(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate?
The InChIKey is SVDNBNWIOSPZMT-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2,3)18-11-12-20-13-14-21-16(19)10-9-15-7-5-4-6-8-15/h4-10,18H,11-14H2,1-3H3/b10-9+.
What are the key properties of 2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate?
2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate has a molecular weight of 291.39 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethoxy]ethyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 163977114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).