ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate

C17H25NO2 — CID 61001864

IUPACethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-4-20-17(19)16(18-11-13-5-6-13)15-9-7-14(8-10-15)12(2)3/h7-10,12-13,16,18H,4-6,11H2,1-3H3
InChIKeyBZOIJYWDSGVXAC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.41
Rot. Bonds7

About ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate

ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate (PubChem CID 61001864) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
PubChem CID61001864
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-4-20-17(19)16(18-11-13-5-6-13)15-9-7-14(8-10-15)12(2)3/h7-10,12-13,16,18H,4-6,11H2,1-3H3
InChIKeyBZOIJYWDSGVXAC-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
CID 54894410
ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate
CID 61001735
ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345226
ethyl 2-(2-azidoethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 66190428
ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate
CID 54894456
ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate
CID 104816560
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062
ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate
CID 107698194
ethyl 2-[4-(difluoromethyl)phenyl]-2-(ethylamino)acetate
CID 113328429
ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66163023
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate?
The IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate (CID 61001864) is ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate.
What is the SMILES notation for ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate?
The canonical SMILES for ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate is CCOC(=O)C(NCC1CC1)c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate?
The InChIKey is BZOIJYWDSGVXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-20-17(19)16(18-11-13-5-6-13)15-9-7-14(8-10-15)12(2)3/h7-10,12-13,16,18H,4-6,11H2,1-3H3.
What are the key properties of ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate?
ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate has a molecular weight of 275.39 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate is sourced from PubChem (CID 61001864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).