[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate

C27H29NO4 — CID 16532999

IUPAC[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C27H29NO4/c1-27(2,3)28(18-21-12-6-4-7-13-21)25(29)19-32-26(30)20-31-24-17-11-10-16-23(24)22-14-8-5-9-15-22/h4-17H,18-20H2,1-3H3
InChIKeyQVZXYGGSKXRFRW-UHFFFAOYSA-N
MW431.53 g/mol
LogP5.10
Rot. Bonds8

About [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate (PubChem CID 16532999) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate.

Molecular Properties

Compound Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate
PubChem CID16532999
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C27H29NO4/c1-27(2,3)28(18-21-12-6-4-7-13-21)25(29)19-32-26(30)20-31-24-17-11-10-16-23(24)22-14-8-5-9-15-22/h4-17H,18-20H2,1-3H3
InChIKeyQVZXYGGSKXRFRW-UHFFFAOYSA-N
XLogP5.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920134
N-benzyl-N-(2-hydroxyethyl)-2-(2-phenylphenoxy)acetamide
CID 78796373
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919723
N-benzyl-N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 891434
N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 3303263
4-[2-[benzyl(tert-butyl)amino]-2-oxoethoxy]benzamide
CID 16545469
[2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8920045
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919601
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate
CID 8919855
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8919475
2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide
CID 7640062

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate (CID 16532999) is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate.
What is the SMILES notation for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The canonical SMILES for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate is CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The InChIKey is QVZXYGGSKXRFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-27(2,3)28(18-21-12-6-4-7-13-21)25(29)19-32-26(30)20-31-24-17-11-10-16-23(24)22-14-8-5-9-15-22/h4-17H,18-20H2,1-3H3.
What are the key properties of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate has a molecular weight of 431.53 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate is sourced from PubChem (CID 16532999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).