N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide

C29H29NO4 — CID 91932959

IUPACN-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide
SMILESCC(C)(C)NC(=O)C1(CCc2ccccc2)OC(=O)C(c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C29H29NO4/c1-28(2,3)30-27(33)29(19-18-20-10-6-4-7-11-20)25(31)24(26(32)34-29)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-17,24H,18-19H2,1-3H3,(H,30,33)
InChIKeyAXARTCGXCFZIKI-UHFFFAOYSA-N
MW455.55 g/mol
LogP4.85
Rot. Bonds6

About N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide

N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide (PubChem CID 91932959) has the molecular formula C29H29NO4 and a molecular weight of 455.55 g/mol. Its IUPAC name is N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide
PubChem CID91932959
Molecular FormulaC29H29NO4
Molecular Weight455.55 g/mol
Exact Mass455.21
IUPAC NameN-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide
SMILESCC(C)(C)NC(=O)C1(CCc2ccccc2)OC(=O)C(c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C29H29NO4/c1-28(2,3)30-27(33)29(19-18-20-10-6-4-7-11-20)25(31)24(26(32)34-29)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-17,24H,18-19H2,1-3H3,(H,30,33)
InChIKeyAXARTCGXCFZIKI-UHFFFAOYSA-N
XLogP4.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-hydroxy-4-(6-methylhept-5-en-2-yl)-5-oxo-2-(2-phenylethyl)furan-2-carboxamide
CID 54693677
3-tert-butyl-1-hydroxy-1-[(4-phenylphenyl)methyl]urea
CID 19817266
1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide
CID 11774592
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
N-[(4-tert-butylphenyl)methyl]-3-hydroxy-5-oxo-4-[(1S)-1-phenylethyl]-2-(2-phenylethyl)furan-2-carboxamide
CID 54693682
4,7,7-trimethyl-3-oxo-N-(2-phenylethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 2941015
1-amino-3-[2-(4-phenylphenyl)ethyl]urea
CID 115192894
(4-phenylphenyl)methyl N-[(2S,3S)-2-tert-butyl-4-oxooxetan-3-yl]carbamate
CID 134152906
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
N-methoxy-3-(4-phenylphenyl)propanamide
CID 144913609

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide (CID 91932959) is N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide is CC(C)(C)NC(=O)C1(CCc2ccccc2)OC(=O)C(c2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide?
The InChIKey is AXARTCGXCFZIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO4/c1-28(2,3)30-27(33)29(19-18-20-10-6-4-7-11-20)25(31)24(26(32)34-29)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-17,24H,18-19H2,1-3H3,(H,30,33).
What are the key properties of N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide?
N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide has a molecular weight of 455.55 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,5-dioxo-2-(2-phenylethyl)-4-(4-phenylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 91932959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).