[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate

C23H29NO5 — CID 8701349

IUPAC[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate
SMILESCOc1ccc(CNC(=O)[C@@H](C)OC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H29NO5/c1-16(22(26)24-14-17-10-12-18(27-5)13-11-17)29-21(25)15-28-20-9-7-6-8-19(20)23(2,3)4/h6-13,16H,14-15H2,1-5H3,(H,24,26)/t16-/m1/s1
InChIKeyHFVONZJTZRRYFJ-MRXNPFEDSA-N
MW399.49 g/mol
LogP3.62
Rot. Bonds8

About [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate

[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate (PubChem CID 8701349) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate
PubChem CID8701349
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate
SMILESCOc1ccc(CNC(=O)[C@@H](C)OC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H29NO5/c1-16(22(26)24-14-17-10-12-18(27-5)13-11-17)29-21(25)15-28-20-9-7-6-8-19(20)23(2,3)4/h6-13,16H,14-15H2,1-5H3,(H,24,26)/t16-/m1/s1
InChIKeyHFVONZJTZRRYFJ-MRXNPFEDSA-N
XLogP3.62
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7696924
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 7846685
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275366
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791453
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate
CID 9272416
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750595
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46678709
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234737
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate
CID 9309796
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8700972
2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7658830
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 8632417

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate?
The IUPAC name of [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate (CID 8701349) is [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate?
The canonical SMILES for [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate is COc1ccc(CNC(=O)[C@@H](C)OC(=O)COc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate?
The InChIKey is HFVONZJTZRRYFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29NO5/c1-16(22(26)24-14-17-10-12-18(27-5)13-11-17)29-21(25)15-28-20-9-7-6-8-19(20)23(2,3)4/h6-13,16H,14-15H2,1-5H3,(H,24,26)/t16-/m1/s1.
What are the key properties of [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate?
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate has a molecular weight of 399.49 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate is sourced from PubChem (CID 8701349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).