ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate

C17H27NO3 — CID 61002775

IUPACethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)C(NCC(C)C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-6-20-17(19)16(18-11-12(2)3)14-7-9-15(10-8-14)21-13(4)5/h7-10,12-13,16,18H,6,11H2,1-5H3
InChIKeyGOXUJROREWORPM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.32
Rot. Bonds8

About ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate

ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate (PubChem CID 61002775) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
PubChem CID61002775
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)C(NCC(C)C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-6-20-17(19)16(18-11-12(2)3)14-7-9-15(10-8-14)21-13(4)5/h7-10,12-13,16,18H,6,11H2,1-5H3
InChIKeyGOXUJROREWORPM-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
2-(4-ethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891036
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 83230878
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 116914253
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753
2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100873
2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide
CID 60995072
ethyl 2-[4-(difluoromethyl)phenyl]-2-(ethylamino)acetate
CID 113328429
methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932725
ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
CID 61212076

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate (CID 61002775) is ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate is CCOC(=O)C(NCC(C)C)c1ccc(OC(C)C)cc1.
What is the InChIKey of ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate?
The InChIKey is GOXUJROREWORPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-20-17(19)16(18-11-12(2)3)14-7-9-15(10-8-14)21-13(4)5/h7-10,12-13,16,18H,6,11H2,1-5H3.
What are the key properties of ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate?
ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate has a molecular weight of 293.41 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate is sourced from PubChem (CID 61002775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).