(3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate

C16H25NO3 — CID 106665941

IUPAC(3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate
SMILESCOC(C)(C)CCOC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H25NO3/c1-15(2,19-5)10-11-20-14(18)16(3,4)12-6-8-13(17)9-7-12/h6-9H,10-11,17H2,1-5H3
InChIKeyCQUQQGMXTAVNBK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.90
Rot. Bonds6

About (3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate

(3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate (PubChem CID 106665941) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate
PubChem CID106665941
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate
SMILESCOC(C)(C)CCOC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H25NO3/c1-15(2,19-5)10-11-20-14(18)16(3,4)12-6-8-13(17)9-7-12/h6-9H,10-11,17H2,1-5H3
InChIKeyCQUQQGMXTAVNBK-UHFFFAOYSA-N
XLogP2.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate
CID 80555976
2-(4-aminophenyl)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761269
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
4-(3-methoxy-3-methylbutyl)sulfanylaniline
CID 103033979
2-(4-aminophenyl)-2-methylpropanamide;hydrochloride
CID 155973359
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
(3-methoxy-3-methylbutyl) 2-(3-aminophenyl)propanoate
CID 106592409
2-chloroethyl 2-methyl-2-phenylpropanoate
CID 12842805
(3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate
CID 106665977
3,3-dimethylbutyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
CID 159311137
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate?
The IUPAC name of (3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate (CID 106665941) is (3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate is COC(C)(C)CCOC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of (3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate?
The InChIKey is CQUQQGMXTAVNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-15(2,19-5)10-11-20-14(18)16(3,4)12-6-8-13(17)9-7-12/h6-9H,10-11,17H2,1-5H3.
What are the key properties of (3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate?
(3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate has a molecular weight of 279.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate is sourced from PubChem (CID 106665941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).