[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

C24H23NO5 — CID 2592473

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO5/c1-28-20-12-14-21(15-13-20)29-17-23(27)30-16-22(26)25-24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,16-17H2,1H3,(H,25,26)
InChIKeyDMNHSIHXKFDTQO-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.52
Rot. Bonds9

About [2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 2592473) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID2592473
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO5/c1-28-20-12-14-21(15-13-20)29-17-23(27)30-16-22(26)25-24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,16-17H2,1H3,(H,25,26)
InChIKeyDMNHSIHXKFDTQO-UHFFFAOYSA-N
XLogP3.52
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8520907
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853538
[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8509675
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 95180836
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2590405
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846620
2-(4-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 38020716
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8007912
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 9230220
[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8608961

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 2592473) is [2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is DMNHSIHXKFDTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-28-20-12-14-21(15-13-20)29-17-23(27)30-16-22(26)25-24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,16-17H2,1H3,(H,25,26).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 405.45 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 2592473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).