[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C24H23NO5 — CID 7277057

IUPAC[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCOc1cccc(CNC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO5/c1-29-21-14-8-9-18(15-21)16-25-22(26)17-30-23(27)24(28,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,28H,16-17H2,1H3,(H,25,26)
InChIKeyFBZWYEHGEWYIFJ-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.79
Rot. Bonds8

About [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 7277057) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID7277057
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCOc1cccc(CNC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO5/c1-29-21-14-8-9-18(15-21)16-25-22(26)17-30-23(27)24(28,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,28H,16-17H2,1H3,(H,25,26)
InChIKeyFBZWYEHGEWYIFJ-UHFFFAOYSA-N
XLogP2.79
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-hydroxybenzoate
CID 7776937
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842501
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653271
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 71823217

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 7277057) is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is COc1cccc(CNC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is FBZWYEHGEWYIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-29-21-14-8-9-18(15-21)16-25-22(26)17-30-23(27)24(28,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,28H,16-17H2,1H3,(H,25,26).
What are the key properties of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 405.45 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 7277057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).