[2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate

C24H23NO4 — CID 7853538

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO4/c1-18-9-8-14-21(15-18)28-17-23(27)29-16-22(26)25-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,24H,16-17H2,1H3,(H,25,26)
InChIKeyHXRUVMXTFXVXRO-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.82
Rot. Bonds8

About [2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate

[2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate (PubChem CID 7853538) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
PubChem CID7853538
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO4/c1-18-9-8-14-21(15-18)28-17-23(27)29-16-22(26)25-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,24H,16-17H2,1H3,(H,25,26)
InChIKeyHXRUVMXTFXVXRO-UHFFFAOYSA-N
XLogP3.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8007912
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592473
2-[[2-(3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 47017240
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(3-methylphenoxy)butanoate
CID 7167462
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(3-methylphenoxy)butanoate
CID 7167460
[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853444
3-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461281
[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910462
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 8910812
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910451
[2-(2-bromoanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594788

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate (CID 7853538) is [2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The InChIKey is HXRUVMXTFXVXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-18-9-8-14-21(15-18)28-17-23(27)29-16-22(26)25-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,24H,16-17H2,1H3,(H,25,26).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate?
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate has a molecular weight of 389.45 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 7853538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).