[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate

C23H28N2O5 — CID 8809632

IUPAC[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O5/c1-23(2,3)24-20(26)14-25(4)21(27)16-30-22(28)18-10-12-19(13-11-18)29-15-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3,(H,24,26)
InChIKeyYSTATGPUDICRFD-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.80
Rot. Bonds8

About [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate (PubChem CID 8809632) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
PubChem CID8809632
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O5/c1-23(2,3)24-20(26)14-25(4)21(27)16-30-22(28)18-10-12-19(13-11-18)29-15-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3,(H,24,26)
InChIKeyYSTATGPUDICRFD-UHFFFAOYSA-N
XLogP2.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 9009280
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018400
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228937
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015926
[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 55307289
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 18110379
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7432025
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289508
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-chlorobenzoate
CID 9014273
[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2599347
2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 8820532

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate?
The IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate (CID 8809632) is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate?
The canonical SMILES for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate is CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate?
The InChIKey is YSTATGPUDICRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-23(2,3)24-20(26)14-25(4)21(27)16-30-22(28)18-10-12-19(13-11-18)29-15-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3,(H,24,26).
What are the key properties of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate?
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate has a molecular weight of 412.49 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 8809632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).