[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate

C29H31NO6 — CID 66674674

IUPAC[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate
SMILESCC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NO6/c1-29(2,3)30(19-25(31)34-20-22-13-7-4-8-14-22)28(33)36-21-35-27(32)26(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,26H,19-21H2,1-3H3
InChIKeyWLUCVOHOKAMMSJ-UHFFFAOYSA-N
MW489.57 g/mol
LogP5.30
Rot. Bonds9

About [tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate

[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate (PubChem CID 66674674) has the molecular formula C29H31NO6 and a molecular weight of 489.57 g/mol. Its IUPAC name is [tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate.

Molecular Properties

Compound Name[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate
PubChem CID66674674
Molecular FormulaC29H31NO6
Molecular Weight489.57 g/mol
Exact Mass489.22
IUPAC Name[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate
SMILESCC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NO6/c1-29(2,3)30(19-25(31)34-20-22-13-7-4-8-14-22)28(33)36-21-35-27(32)26(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,26H,19-21H2,1-3H3
InChIKeyWLUCVOHOKAMMSJ-UHFFFAOYSA-N
XLogP5.30
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.57
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl cyclohexanecarboxylate
CID 66674601
[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 4-tert-butylbenzoate
CID 66675139
iodomethyl 3-[2-[tert-butyl(phenylmethoxycarbonyl)amino]acetyl]oxy-2,2-dimethylpropanoate
CID 54194877
2-[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxy-2-methylheptanoic acid
CID 91580702
2-[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxy-3-methylpyridine-4-carboxylic acid
CID 91096514
benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801
2-[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxy-3-methyl-4-phenylbenzoic acid
CID 90876909
benzyl 3-hydroxy-2,2-dimethyl-3-phenylpropanoate
CID 101128345
benzyl N-tert-butyl-N-(4-iodobutyl)carbamate
CID 91363624
benzyl 2,2-bis(4-hydroxyphenyl)acetate;phenol
CID 160633420
benzyl 3-hydroxybutanoate
CID 562226
benzyl 2-[(2-methylpropan-2-yl)oxycarbonyl-propanoylamino]acetate
CID 163815010

Frequently Asked Questions

What is the IUPAC name of [tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate?
The IUPAC name of [tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate (CID 66674674) is [tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate.
What is the SMILES notation for [tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate?
The canonical SMILES for [tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate is CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate?
The InChIKey is WLUCVOHOKAMMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO6/c1-29(2,3)30(19-25(31)34-20-22-13-7-4-8-14-22)28(33)36-21-35-27(32)26(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,26H,19-21H2,1-3H3.
What are the key properties of [tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate?
[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate has a molecular weight of 489.57 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl 2,2-diphenylacetate is sourced from PubChem (CID 66674674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).