2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate

C17H27NO2 — CID 20813215

IUPAC2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-8-16(2,3)15(19)20-17(4,5)13-9-11-14(12-10-13)18(6)7/h9-12H,8H2,1-7H3
InChIKeyWNIAKTQDCDLULE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.97
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate

2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate (PubChem CID 20813215) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate
PubChem CID20813215
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-8-16(2,3)15(19)20-17(4,5)13-9-11-14(12-10-13)18(6)7/h9-12H,8H2,1-7H3
InChIKeyWNIAKTQDCDLULE-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylpropan-2-yl 2,2-dimethylbutanoate
CID 18730969
2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate
CID 20813224
2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate
CID 177286394
methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate
CID 54880686
dimethyl 2-[4-(dimethylamino)phenyl]-2-hydroxypropanedioate
CID 2750049
2-[4-(dimethylamino)phenyl]-2-methylbutanal
CID 24822543
1-O-[2-[4-[1,1-bis[4-(dimethylamino)phenyl]ethyl]-N-methylanilino]ethyl] 5-O-methyl 4-ethyl-2,2,4-trimethylpentanedioate
CID 158943234
ethyl 2-[4-(dimethylamino)phenyl]-2-(prop-2-ynylamino)propanoate
CID 62365825
4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one
CID 30469812
2-[4-(dimethylamino)phenyl]-2-(propylamino)propanoic acid
CID 54880652
2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54880722
2-[4-(dimethylamino)phenyl]-2-ethyl-3-oxobutanoic acid
CID 70413233

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate?
The IUPAC name of 2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate (CID 20813215) is 2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate?
The InChIKey is WNIAKTQDCDLULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-8-16(2,3)15(19)20-17(4,5)13-9-11-14(12-10-13)18(6)7/h9-12H,8H2,1-7H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate?
2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 277.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 20813215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).