tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate

C17H23NO3 — CID 161289804

IUPACtert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(CC(=O)NC2CC2)cc1
InChIInChI=1S/C17H23NO3/c1-17(2,3)21-16(20)11-13-6-4-12(5-7-13)10-15(19)18-14-8-9-14/h4-7,14H,8-11H2,1-3H3,(H,18,19)
InChIKeyANOXJCSJKOEBIK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.39
Rot. Bonds5

About tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate

tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate (PubChem CID 161289804) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
PubChem CID161289804
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nametert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(CC(=O)NC2CC2)cc1
InChIInChI=1S/C17H23NO3/c1-17(2,3)21-16(20)11-13-6-4-12(5-7-13)10-15(19)18-14-8-9-14/h4-7,14H,8-11H2,1-3H3,(H,18,19)
InChIKeyANOXJCSJKOEBIK-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-)-threo-4'-Ethylmethylphenidate
CID 52947243
(S)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(2-propenyl)benzenepropanoic acid methyl ester
CID 14560595
N-oleoyl-L-phenylalaninate
CID 122391266
(3S)-3-(((tert-butoxy)carbonyl)amino)-4-(4-methylphenyl)butanoic acid
CID 2761607
2-(4-(2-(((Tert-butoxy)carbonyl)amino)ethyl)phenyl)acetic acid
CID 19747634
Arachidonoylphenylalaninate
CID 122391298
N-Octadecanoyl-L-phenylalanine
CID 146170816
N-Hexadecanoyl-L-phenylalanine
CID 146170862
N-DHA-L-phenylalanine(1-)
CID 146170868
N-(11-methyldodecanoyl)-L-phenylalanine
CID 172407966
methyl (Z)-12-[[(2S)-2-amino-3-phenylpropanoyl]amino]octadec-9-enoate
CID 14655921
Tert-butyl 3-(7-phenylheptanoylamino)propanoate
CID 44563079

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate?
The IUPAC name of tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate (CID 161289804) is tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate?
The canonical SMILES for tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate is CC(C)(C)OC(=O)Cc1ccc(CC(=O)NC2CC2)cc1.
What is the InChIKey of tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate?
The InChIKey is ANOXJCSJKOEBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)11-13-6-4-12(5-7-13)10-15(19)18-14-8-9-14/h4-7,14H,8-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate?
tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate has a molecular weight of 289.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate is sourced from PubChem (CID 161289804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).