[2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate

C25H25NO3 — CID 171351736

IUPAC[2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate
SMILESCC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H25NO3/c1-25(2,3)26-23(27)22(29-24(28)19-14-8-5-9-15-19)21-17-11-10-16-20(21)18-12-6-4-7-13-18/h4-17,22H,1-3H3,(H,26,27)
InChIKeyDLRLUVGMHGCFNP-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.17
Rot. Bonds5

About [2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate

[2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate (PubChem CID 171351736) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate
PubChem CID171351736
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name[2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate
SMILESCC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H25NO3/c1-25(2,3)26-23(27)22(29-24(28)19-14-8-5-9-15-19)21-17-11-10-16-20(21)18-12-6-4-7-13-18/h4-17,22H,1-3H3,(H,26,27)
InChIKeyDLRLUVGMHGCFNP-UHFFFAOYSA-N
XLogP5.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1-Amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate
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[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] benzoate
CID 3947743
[2-Oxo-2-(1-phenylethylamino)ethyl] 3,4-dimethylbenzoate
CID 4802847
N-benzyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
CID 4875432
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate
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[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate
CID 4017767
[2-(Tert-butylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 5032983
(2-Benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate
CID 7472903
4-(4-methylphenyl)-1-oxo-N-phenethyl-1H-isochromene-3-carboxamide
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[2-(Dimethylamino)-2-oxo-1-phenylethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate?
The IUPAC name of [2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate (CID 171351736) is [2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate?
The canonical SMILES for [2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate is CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate?
The InChIKey is DLRLUVGMHGCFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-25(2,3)26-23(27)22(29-24(28)19-14-8-5-9-15-19)21-17-11-10-16-20(21)18-12-6-4-7-13-18/h4-17,22H,1-3H3,(H,26,27).
What are the key properties of [2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate?
[2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate has a molecular weight of 387.48 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxo-1-(2-phenylphenyl)ethyl] benzoate is sourced from PubChem (CID 171351736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).