methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate

C17H25NO3 — CID 60994062

IUPACmethyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
SMILESCOC(=O)C(NCC1CCCO1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)13-6-8-14(9-7-13)16(17(19)20-3)18-11-15-5-4-10-21-15/h6-9,12,15-16,18H,4-5,10-11H2,1-3H3
InChIKeyVEQQFAVAHBFJEB-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.79
Rot. Bonds6

About methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate

methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate (PubChem CID 60994062) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
PubChem CID60994062
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
SMILESCOC(=O)C(NCC1CCCO1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)13-6-8-14(9-7-13)16(17(19)20-3)18-11-15-5-4-10-21-15/h6-9,12,15-16,18H,4-5,10-11H2,1-3H3
InChIKeyVEQQFAVAHBFJEB-UHFFFAOYSA-N
XLogP2.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-chloro-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 81145280
methyl 2-[3-(difluoromethyl)phenyl]-2-(oxolan-2-ylmethylamino)acetate
CID 115527064
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890052
methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
CID 54890054
methyl 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 60993064
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 62133911
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
methyl 2-methyl-3-(oxolan-2-ylmethylamino)butanoate
CID 79391941

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate?
The IUPAC name of methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate (CID 60994062) is methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate.
What is the SMILES notation for methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate?
The canonical SMILES for methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate is COC(=O)C(NCC1CCCO1)c1ccc(C(C)C)cc1.
What is the InChIKey of methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate?
The InChIKey is VEQQFAVAHBFJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)13-6-8-14(9-7-13)16(17(19)20-3)18-11-15-5-4-10-21-15/h6-9,12,15-16,18H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate?
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate has a molecular weight of 291.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate is sourced from PubChem (CID 60994062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).