[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate

C17H23NO4 — CID 24816973

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCc1cc(C)c(OCC(=O)OC(C)C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C17H23NO4/c1-10-7-11(2)16(12(3)8-10)21-9-15(19)22-13(4)17(20)18-14-5-6-14/h7-8,13-14H,5-6,9H2,1-4H3,(H,18,20)
InChIKeyFYOQMWQVKWHDMF-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.20
Rot. Bonds6

About [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate (PubChem CID 24816973) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate
PubChem CID24816973
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCc1cc(C)c(OCC(=O)OC(C)C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C17H23NO4/c1-10-7-11(2)16(12(3)8-10)21-9-15(19)22-13(4)17(20)18-14-5-6-14/h7-8,13-14H,5-6,9H2,1-4H3,(H,18,20)
InChIKeyFYOQMWQVKWHDMF-UHFFFAOYSA-N
XLogP2.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2789933
2-(2,4-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 753654
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
[2-(cyclopropylamino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 2407203
[2-(Cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595950
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 4800874
[2-(Cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139575
N-cyclopropyl-2-(2,6-dimethylphenoxy)acetamide
CID 974557
N-cyclopentyl-2-(2,4-dimethylphenoxy)acetamide
CID 876444
2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2177231
[2-(Cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2365788
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541665

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate (CID 24816973) is [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate is Cc1cc(C)c(OCC(=O)OC(C)C(=O)NC2CC2)c(C)c1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate?
The InChIKey is FYOQMWQVKWHDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-10-7-11(2)16(12(3)8-10)21-9-15(19)22-13(4)17(20)18-14-5-6-14/h7-8,13-14H,5-6,9H2,1-4H3,(H,18,20).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate has a molecular weight of 305.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,4,6-trimethylphenoxy)acetate is sourced from PubChem (CID 24816973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).